| blob | d5351295420074b7eabb59492aa6b4652698f552 |
1 [ bondedtypes ]
2 ; bonds angles dihedrals impropers
3 2 2 1 2
5 [ ACE ]
6 [ atoms ]
7 CA CH3 0.000 0
8 C C 0.450 1
9 O O -0.450 1
10 [ bonds ]
11 C CA gb_27
12 C O gb_5
13 C +N gb_19
14 [ angles ]
15 CA C O ga_30
16 CA C +N ga_19
17 O C +N ga_33
18 [ impropers ]
19 C CA +N O gi_1
21 [ NH2 ]
22 [ atoms ]
23 N NT -0.83 0
24 H1 H 0.415 0
25 H2 H 0.415 0
26 [ bonds ]
27 N H1 gb_2
28 N H2 gb_2
29 -C N gb_9
30 [ angles ]
31 -O -C N ga_33
32 -CA -C N ga_19
33 -C N H1 ga_23
34 -C N H2 ga_23
35 H1 N H2 ga_24
36 [ dihedrals ]
37 -CA -C N H1 gd_14
38 [ impropers ]
39 -C -O N -CA gi_1
40 N H1 H2 -C gi_1
42 [ ALA ]
43 [ atoms ]
44 N N -0.31000 0
45 H H 0.31000 0
46 CA CH1 0.00000 1
47 CB CH3 0.00000 1
48 C C 0.450 2
49 O O -0.450 2
50 [ bonds ]
51 N H gb_2
52 N CA gb_21
53 CA CB gb_27
54 CA C gb_27
55 C O gb_5
56 C +N gb_10
57 [ angles ]
58 ; ai aj ak gromos type
59 -C N H ga_32
60 -C N CA ga_31
61 H N CA ga_18
62 N CA CB ga_13
63 N CA C ga_13
64 CB CA C ga_13
65 CA C O ga_30
66 CA C +N ga_19
67 O C +N ga_33
68 [ impropers ]
69 ; ai aj ak al gromos type
70 N -C CA H gi_1
71 CA N C CB gi_2
72 C CA +N O gi_1
73 [ dihedrals ]
74 ; ai aj ak al gromos type
75 -CA -C N CA gd_14
76 -C N CA C gd_39
77 N CA C +N gd_40
79 [ ARG ]
80 [ atoms ]
81 N N -0.31000 0
82 H H 0.31000 0
83 CA CH1 0.00000 1
84 CB CH2 0.00000 1
85 CG CH2 0.00000 1
86 CD CH2 0.09000 2
87 NE NE -0.11000 2
88 HE H 0.24000 2
89 CZ C 0.34000 2
90 NH1 NZ -0.26000 2
91 HH11 H 0.24000 2
92 HH12 H 0.24000 2
93 NH2 NZ -0.26000 2
94 HH21 H 0.24000 2
95 HH22 H 0.24000 2
96 C C 0.450 3
97 O O -0.450 3
98 [ bonds ]
99 N H gb_2
100 N CA gb_21
101 CA CB gb_27
102 CA C gb_27
103 CB CG gb_27
104 CG CD gb_27
105 CD NE gb_21
106 NE HE gb_2
107 NE CZ gb_11
108 CZ NH1 gb_11
109 CZ NH2 gb_11
110 NH1 HH11 gb_2
111 NH1 HH12 gb_2
112 NH2 HH21 gb_2
113 NH2 HH22 gb_2
114 C O gb_5
115 C +N gb_10
116 [ angles ]
117 ; ai aj ak gromos type
118 -C N H ga_32
119 -C N CA ga_31
120 H N CA ga_18
121 N CA CB ga_13
122 N CA C ga_13
123 CB CA C ga_13
124 CA CB CG ga_15
125 CB CG CD ga_15
126 CG CD NE ga_13
127 CD NE HE ga_20
128 CD NE CZ ga_33
129 HE NE CZ ga_23
130 NE CZ NH1 ga_28
131 NE CZ NH2 ga_28
132 NH1 CZ NH2 ga_28
133 CZ NH1 HH11 ga_23
134 CZ NH1 HH12 ga_23
135 HH11 NH1 HH12 ga_24
136 CZ NH2 HH21 ga_23
137 CZ NH2 HH22 ga_23
138 HH21 NH2 HH22 ga_24
139 CA C O ga_30
140 CA C +N ga_19
141 O C +N ga_33
142 [ impropers ]
143 ; ai aj ak al gromos type
144 N -C CA H gi_1
145 CA N C CB gi_2
146 NE CD CZ HE gi_1
147 CZ NH1 NH2 NE gi_1
148 NH1 HH11 HH12 CZ gi_1
149 NH2 HH21 HH22 CZ gi_1
150 C CA +N O gi_1
151 [ dihedrals ]
152 ; ai aj ak al gromos type
153 -CA -C N CA gd_14
154 -C N CA C gd_39
155 N CA CB CG gd_34
156 N CA C +N gd_40
157 CA CB CG CD gd_34
158 CB CG CD NE gd_34
159 CG CD NE CZ gd_39
160 CD NE CZ NH1 gd_14
161 NE CZ NH1 HH11 gd_14
162 NE CZ NH2 HH21 gd_14
164 [ ARGN ]
165 [ atoms ]
166 N N -0.31000 0
167 H H 0.31000 0
168 CA CH1 0.00000 1
169 CB CH2 0.00000 1
170 CG CH2 0.00000 2
171 CD CH2 0.00000 2
172 NE NE -0.31000 3
173 HE H 0.31000 3
174 CZ C 0.20800 4
175 NH1 NE -0.61100 4
176 HH1 H 0.40300 4
177 NH2 NZ -0.83000 5
178 HH21 H 0.41500 5
179 HH22 H 0.41500 5
180 C C 0.450 6
181 O O -0.450 6
182 [ bonds ]
183 N H gb_2
184 N CA gb_21
185 CA CB gb_27
186 CA C gb_27
187 CB CG gb_27
188 CG CD gb_27
189 CD NE gb_21
190 NE HE gb_2
191 NE CZ gb_11
192 CZ NH1 gb_11
193 CZ NH2 gb_11
194 NH1 HH1 gb_2
195 NH2 HH21 gb_2
196 NH2 HH22 gb_2
197 C O gb_5
198 C +N gb_10
199 [ angles ]
200 ; ai aj ak gromos type
201 -C N H ga_32
202 -C N CA ga_31
203 H N CA ga_18
204 N CA CB ga_13
205 N CA C ga_13
206 CB CA C ga_13
207 CA CB CG ga_15
208 CB CG CD ga_15
209 CG CD NE ga_13
210 CD NE HE ga_20
211 CD NE CZ ga_33
212 HE NE CZ ga_23
213 NE CZ NH1 ga_28
214 NE CZ NH2 ga_28
215 NH1 CZ NH2 ga_28
216 CZ NH1 HH1 ga_23
217 CZ NH2 HH21 ga_23
218 CZ NH2 HH22 ga_23
219 HH21 NH2 HH22 ga_24
220 CA C O ga_30
221 CA C +N ga_19
222 O C +N ga_33
223 [ impropers ]
224 ; ai aj ak al gromos type
225 N -C CA H gi_1
226 CA N C CB gi_2
227 NE CD CZ HE gi_1
228 CZ NH1 NH2 NE gi_1
229 NH2 HH21 HH22 CZ gi_1
230 C CA +N O gi_1
231 [ dihedrals ]
232 ; ai aj ak al gromos type
233 -CA -C N CA gd_14
234 -C N CA C gd_39
235 N CA CB CG gd_34
236 N CA C +N gd_40
237 CA CB CG CD gd_34
238 CB CG CD NE gd_34
239 CG CD NE CZ gd_39
240 CD NE CZ NH1 gd_14
241 NE CZ NH1 HH1 gd_14
242 NE CZ NH2 HH21 gd_14
244 [ ASN ]
245 [ atoms ]
246 N N -0.31000 0
247 H H 0.31000 0
248 CA CH1 0.00000 1
249 CB CH2 0.00000 1
250 CG C 0.45000 2
251 OD1 O -0.45000 2
252 ND2 NT -0.83000 3
253 HD21 H 0.41500 3
254 HD22 H 0.41500 3
255 C C 0.450 4
256 O O -0.450 4
257 [ bonds ]
258 N H gb_2
259 N CA gb_21
260 CA CB gb_27
261 CA C gb_27
262 CB CG gb_27
263 CG OD1 gb_5
264 CG ND2 gb_9
265 ND2 HD21 gb_2
266 ND2 HD22 gb_2
267 C O gb_5
268 C +N gb_10
269 [ angles ]
270 ; ai aj ak gromos type
271 -C N H ga_32
272 -C N CA ga_31
273 H N CA ga_18
274 N CA CB ga_13
275 N CA C ga_13
276 CB CA C ga_13
277 CA CB CG ga_15
278 CB CG OD1 ga_30
279 CB CG ND2 ga_19
280 OD1 CG ND2 ga_33
281 CG ND2 HD21 ga_23
282 CG ND2 HD22 ga_23
283 HD21 ND2 HD22 ga_24
284 CA C O ga_30
285 CA C +N ga_19
286 O C +N ga_33
287 [ impropers ]
288 ; ai aj ak al gromos type
289 N -C CA H gi_1
290 CA N C CB gi_2
291 CG OD1 ND2 CB gi_1
292 ND2 HD21 HD22 CG gi_1
293 C CA +N O gi_1
294 [ dihedrals ]
295 ; ai aj ak al gromos type
296 -CA -C N CA gd_14
297 -C N CA C gd_39
298 N CA CB CG gd_34
299 N CA C +N gd_40
300 CA CB CG ND2 gd_40
301 CB CG ND2 HD21 gd_14
303 [ ASN1 ]
304 [ atoms ]
305 N N -0.31000 0
306 H H 0.31000 0
307 CA CH1 0.00000 1
308 CB CH2 0.00000 1
309 CG C 0.45000 2
310 OD1 O -0.45000 2
311 ND2 NL -0.83000 3
312 HD21 H 0.41500 3
313 HD22 H 0.41500 3
314 C C 0.450 4
315 O O -0.450 4
316 [ bonds ]
317 N H gb_2
318 N CA gb_21
319 CA CB gb_27
320 CA C gb_27
321 CB CG gb_27
322 CG OD1 gb_5
323 CG ND2 gb_9
324 ND2 HD21 gb_2
325 ND2 HD22 gb_2
326 C O gb_5
327 C +N gb_10
328 [ angles ]
329 ; ai aj ak gromos type
330 -C N H ga_32
331 -C N CA ga_31
332 H N CA ga_18
333 N CA CB ga_13
334 N CA C ga_13
335 CB CA C ga_13
336 CA CB CG ga_15
337 CB CG OD1 ga_30
338 CB CG ND2 ga_19
339 OD1 CG ND2 ga_33
340 CG ND2 HD21 ga_23
341 CG ND2 HD22 ga_23
342 HD21 ND2 HD22 ga_24
343 CA C O ga_30
344 CA C +N ga_19
345 O C +N ga_33
346 [ impropers ]
347 ; ai aj ak al gromos type
348 N -C CA H gi_1
349 CA N C CB gi_2
350 CG OD1 ND2 CB gi_1
351 ND2 HD21 HD22 CG gi_1
352 C CA +N O gi_1
353 [ dihedrals ]
354 ; ai aj ak al gromos type
355 -CA -C N CA gd_14
356 -C N CA C gd_39
357 N CA CB CG gd_34
358 N CA C +N gd_40
359 CA CB CG ND2 gd_40
360 CB CG ND2 HD21 gd_14
362 [ ASP ]
363 [ atoms ]
364 N N -0.31000 0
365 H H 0.31000 0
366 CA CH1 0.00000 1
367 CB CH2 0.00000 1
368 CG C 0.27000 2
369 OD1 OM -0.63500 2
370 OD2 OM -0.63500 2
371 C C 0.450 3
372 O O -0.450 3
373 [ bonds ]
374 N H gb_2
375 N CA gb_21
376 CA CB gb_27
377 CA C gb_27
378 CB CG gb_27
379 CG OD1 gb_6
380 CG OD2 gb_6
381 C O gb_5
382 C +N gb_10
383 [ angles ]
384 ; ai aj ak gromos type
385 -C N H ga_32
386 -C N CA ga_31
387 H N CA ga_18
388 N CA CB ga_13
389 N CA C ga_13
390 CB CA C ga_13
391 CA CB CG ga_15
392 CB CG OD1 ga_22
393 CB CG OD2 ga_22
394 OD1 CG OD2 ga_38
395 CA C O ga_30
396 CA C +N ga_19
397 O C +N ga_33
398 [ impropers ]
399 ; ai aj ak al gromos type
400 N -C CA H gi_1
401 CA N C CB gi_2
402 CG OD1 OD2 CB gi_1
403 C CA +N O gi_1
404 [ dihedrals ]
405 ; ai aj ak al gromos type
406 -CA -C N CA gd_14
407 -C N CA C gd_39
408 N CA CB CG gd_34
409 N CA C +N gd_40
410 CA CB CG OD1 gd_40
412 [ ASPH ]
413 [ atoms ]
414 N N -0.31000 0
415 H H 0.31000 0
416 CA CH1 0.00000 1
417 CB CH2 0.00000 1
418 CG C 0.65800 2
419 OD1 O -0.45000 2
420 OD2 OA -0.61100 2
421 HD2 H 0.40300 2
422 C C 0.450 3
423 O O -0.450 3
424 [ bonds ]
425 N H gb_2
426 N CA gb_21
427 CA CB gb_27
428 CA C gb_27
429 CB CG gb_27
430 CG OD1 gb_5
431 CG OD2 gb_13
432 OD2 HD2 gb_1
433 C O gb_5
434 C +N gb_10
435 [ angles ]
436 ; ai aj ak gromos type
437 -C N H ga_32
438 -C N CA ga_31
439 H N CA ga_18
440 N CA CB ga_13
441 N CA C ga_13
442 CB CA C ga_13
443 CA CB CG ga_15
444 CB CG OD1 ga_30
445 CB CG OD2 ga_19
446 OD1 CG OD2 ga_33
447 CG OD2 HD2 ga_12
448 CA C O ga_30
449 CA C +N ga_19
450 O C +N ga_33
451 [ impropers ]
452 ; ai aj ak al gromos type
453 N -C CA H gi_1
454 CA N C CB gi_2
455 CG OD1 OD2 CB gi_1
456 C CA +N O gi_1
457 [ dihedrals ]
458 ; ai aj ak al gromos type
459 -CA -C N CA gd_14
460 -C N CA C gd_39
461 N CA CB CG gd_34
462 N CA C +N gd_40
463 CA CB CG OD2 gd_40
464 CB CG OD2 HD2 gd_12
466 [ CYS ]
467 [ atoms ]
468 N N -0.31000 0
469 H H 0.31000 0
470 CA CH1 0.00000 1
471 CB CH2 -0.10000 2
472 SG S -0.40000 2
473 C C 0.450 3
474 O O -0.450 3
475 [ bonds ]
476 N H gb_2
477 N CA gb_21
478 CA CB gb_27
479 CA C gb_27
480 CB SG gb_32
481 C O gb_5
482 C +N gb_10
483 [ angles ]
484 ; ai aj ak gromos type
485 -C N H ga_32
486 -C N CA ga_31
487 H N CA ga_18
488 N CA CB ga_13
489 N CA C ga_13
490 CB CA C ga_13
491 CA CB SG ga_16
492 CA C O ga_30
493 CA C +N ga_19
494 O C +N ga_33
495 [ impropers ]
496 ; ai aj ak al gromos type
497 N -C CA H gi_1
498 CA N C CB gi_2
499 C CA +N O gi_1
500 [ dihedrals ]
501 ; ai aj ak al gromos type
502 -CA -C N CA gd_14
503 -C N CA C gd_39
504 N CA CB SG gd_34
505 N CA C +N gd_40
507 [ CYSH ]
508 [ atoms ]
509 N N -0.31000 0
510 H H 0.31000 0
511 CA CH1 0.00000 1
512 CB CH2 0.15000 2
513 SG S -0.35000 2
514 HG H 0.20000 2
515 C C 0.450 3
516 O O -0.450 3
517 [ bonds ]
518 N H gb_2
519 N CA gb_21
520 CA CB gb_27
521 CA C gb_27
522 CB SG gb_32
523 SG HG gb_8
524 C O gb_5
525 C +N gb_10
526 [ angles ]
527 ; ai aj ak gromos type
528 -C N H ga_32
529 -C N CA ga_31
530 H N CA ga_18
531 N CA CB ga_13
532 N CA C ga_13
533 CB CA C ga_13
534 CA CB SG ga_16
535 CB SG HG ga_3
536 CA C O ga_30
537 CA C +N ga_19
538 O C +N ga_33
539 [ impropers ]
540 ; ai aj ak al gromos type
541 N -C CA H gi_1
542 CA N C CB gi_2
543 C CA +N O gi_1
544 [ dihedrals ]
545 ; ai aj ak al gromos type
546 -CA -C N CA gd_14
547 -C N CA C gd_39
548 N CA CB SG gd_34
549 N CA C +N gd_40
550 CA CB SG HG gd_26
552 [ CYS1 ]
553 [ atoms ]
554 N N -0.31000 0
555 H H 0.31000 0
556 CA CH1 0.00000 1
557 CB CH2 0.00000 1
558 SG S 0.00000 1
559 C C 0.450 2
560 O O -0.450 2
561 [ bonds ]
562 N H gb_2
563 N CA gb_21
564 CA CB gb_27
565 CA C gb_27
566 CB SG gb_32
567 C O gb_5
568 C +N gb_10
569 [ angles ]
570 ; ai aj ak gromos type
571 -C N H ga_32
572 -C N CA ga_31
573 H N CA ga_18
574 N CA CB ga_13
575 N CA C ga_13
576 CB CA C ga_13
577 CA CB SG ga_16
578 CA C O ga_30
579 CA C +N ga_19
580 O C +N ga_33
581 [ impropers ]
582 ; ai aj ak al gromos type
583 N -C CA H gi_1
584 CA N C CB gi_2
585 C CA +N O gi_1
586 [ dihedrals ]
587 ; ai aj ak al gromos type
588 -CA -C N CA gd_14
589 -C N CA C gd_39
590 N CA CB SG gd_34
591 N CA C +N gd_40
593 [ CYS2 ]
594 [ atoms ]
595 N N -0.31000 0
596 H H 0.31000 0
597 CA CH1 0.00000 1
598 CB CH2 0.00000 1
599 SG S 0.00000 1
600 C C 0.450 2
601 O O -0.450 2
602 [ bonds ]
603 N H gb_2
604 N CA gb_21
605 CA CB gb_27
606 CA C gb_27
607 CB SG gb_32
608 C O gb_5
609 C +N gb_10
610 [ angles ]
611 ; ai aj ak gromos type
612 -C N H ga_32
613 -C N CA ga_31
614 H N CA ga_18
615 N CA CB ga_13
616 N CA C ga_13
617 CB CA C ga_13
618 CA CB SG ga_16
619 CA C O ga_30
620 CA C +N ga_19
621 O C +N ga_33
622 [ impropers ]
623 ; ai aj ak al gromos type
624 N -C CA H gi_1
625 CA N C CB gi_2
626 C CA +N O gi_1
627 [ dihedrals ]
628 ; ai aj ak al gromos type
629 -CA -C N CA gd_14
630 -C N CA C gd_39
631 N CA CB SG gd_34
632 N CA C +N gd_40
634 [ GLN ]
635 [ atoms ]
636 N N -0.31000 0
637 H H 0.31000 0
638 CA CH1 0.00000 1
639 CB CH2 0.00000 1
640 CG CH2 0.00000 1
641 CD C 0.45000 2
642 OE1 O -0.45000 2
643 NE2 NT -0.83000 3
644 HE21 H 0.41500 3
645 HE22 H 0.41500 3
646 C C 0.450 4
647 O O -0.450 4
648 [ bonds ]
649 N H gb_2
650 N CA gb_21
651 CA CB gb_27
652 CA C gb_27
653 CB CG gb_27
654 CG CD gb_27
655 CD OE1 gb_5
656 CD NE2 gb_9
657 NE2 HE21 gb_2
658 NE2 HE22 gb_2
659 C O gb_5
660 C +N gb_10
661 [ angles ]
662 ; ai aj ak gromos type
663 -C N H ga_32
664 -C N CA ga_31
665 H N CA ga_18
666 N CA CB ga_13
667 N CA C ga_13
668 CB CA C ga_13
669 CA CB CG ga_15
670 CB CG CD ga_15
671 CG CD OE1 ga_30
672 CG CD NE2 ga_19
673 OE1 CD NE2 ga_33
674 CD NE2 HE21 ga_23
675 CD NE2 HE22 ga_23
676 HE21 NE2 HE22 ga_24
677 CA C O ga_30
678 CA C +N ga_19
679 O C +N ga_33
680 [ impropers ]
681 ; ai aj ak al gromos type
682 N -C CA H gi_1
683 CA N C CB gi_2
684 CD OE1 NE2 CG gi_1
685 NE2 HE21 HE22 CD gi_1
686 C CA +N O gi_1
687 [ dihedrals ]
688 ; ai aj ak al gromos type
689 -CA -C N CA gd_14
690 -C N CA C gd_39
691 N CA CB CG gd_34
692 N CA C +N gd_40
693 CA CB CG CD gd_34
694 CB CG CD NE2 gd_40
695 CG CD NE2 HE21 gd_14
697 [ GLU ]
698 [ atoms ]
699 N N -0.31000 0
700 H H 0.31000 0
701 CA CH1 0.00000 1
702 CB CH2 0.00000 1
703 CG CH2 0.00000 1
704 CD C 0.27000 2
705 OE1 OM -0.63500 2
706 OE2 OM -0.63500 2
707 C C 0.450 3
708 O O -0.450 3
709 [ bonds ]
710 N H gb_2
711 N CA gb_21
712 CA CB gb_27
713 CA C gb_27
714 CB CG gb_27
715 CG CD gb_27
716 CD OE1 gb_6
717 CD OE2 gb_6
718 C O gb_5
719 C +N gb_10
720 [ angles ]
721 ; ai aj ak gromos type
722 -C N H ga_32
723 -C N CA ga_31
724 H N CA ga_18
725 N CA CB ga_13
726 N CA C ga_13
727 CB CA C ga_13
728 CA CB CG ga_15
729 CB CG CD ga_15
730 CG CD OE1 ga_22
731 CG CD OE2 ga_22
732 OE1 CD OE2 ga_38
733 CA C O ga_30
734 CA C +N ga_19
735 O C +N ga_33
736 [ impropers ]
737 ; ai aj ak al gromos type
738 N -C CA H gi_1
739 CA N C CB gi_2
740 CD OE1 OE2 CG gi_1
741 C CA +N O gi_1
742 [ dihedrals ]
743 ; ai aj ak al gromos type
744 -CA -C N CA gd_14
745 -C N CA C gd_39
746 N CA CB CG gd_34
747 N CA C +N gd_40
748 CA CB CG CD gd_34
749 CB CG CD OE2 gd_40
751 [ GLUH ]
752 [ atoms ]
753 N N -0.31000 0
754 H H 0.31000 0
755 CA CH1 0.00000 1
756 CB CH2 0.00000 1
757 CG CH2 0.00000 1
758 CD C 0.65800 2
759 OE1 O -0.45000 2
760 OE2 OA -0.61100 2
761 HE2 H 0.40300 2
762 C C 0.450 3
763 O O -0.450 3
764 [ bonds ]
765 N H gb_2
766 N CA gb_21
767 CA CB gb_27
768 CA C gb_27
769 CB CG gb_27
770 CG CD gb_27
771 CD OE1 gb_5
772 CD OE2 gb_13
773 OE2 HE2 gb_1
774 C O gb_5
775 C +N gb_10
776 [ angles ]
777 ; ai aj ak gromos type
778 -C N H ga_32
779 -C N CA ga_31
780 H N CA ga_18
781 N CA CB ga_13
782 N CA C ga_13
783 CB CA C ga_13
784 CA CB CG ga_15
785 CB CG CD ga_15
786 CG CD OE1 ga_30
787 CG CD OE2 ga_19
788 OE1 CD OE2 ga_33
789 CD OE2 HE2 ga_12
790 CA C O ga_30
791 CA C +N ga_19
792 O C +N ga_33
793 [ impropers ]
794 ; ai aj ak al gromos type
795 N -C CA H gi_1
796 CA N C CB gi_2
797 CD OE1 OE2 CG gi_1
798 C CA +N O gi_1
799 [ dihedrals ]
800 ; ai aj ak al gromos type
801 -CA -C N CA gd_14
802 -C N CA C gd_39
803 N CA CB CG gd_34
804 N CA C +N gd_40
805 CA CB CG CD gd_34
806 CB CG CD OE2 gd_40
807 CG CD OE2 HE2 gd_12
809 [ GLY ]
810 [ atoms ]
811 N N -0.31000 0
812 H H 0.31000 0
813 CA CH2 0.00000 1
814 C C 0.450 2
815 O O -0.450 2
816 [ bonds ]
817 N H gb_2
818 N CA gb_21
819 CA C gb_27
820 C O gb_5
821 C +N gb_10
822 [ angles ]
823 ; ai aj ak gromos type
824 -C N H ga_32
825 -C N CA ga_31
826 H N CA ga_18
827 N CA C ga_13
828 CA C O ga_30
829 CA C +N ga_19
830 O C +N ga_33
831 [ impropers ]
832 ; ai aj ak al gromos type
833 N -C CA H gi_1
834 C CA +N O gi_1
835 [ dihedrals ]
836 ; ai aj ak al gromos type
837 -CA -C N CA gd_14
838 -C N CA C gd_39
839 N CA C +N gd_40
841 [ HISA ]
842 [ atoms ]
843 N N -0.31000 0
844 H H 0.31000 0
845 CA CH1 0.00000 1
846 CB CH2 0.00000 1
847 CG C 0.00000 2
848 ND1 NR -0.31000 2
849 HD1 H 0.31000 2
850 CD2 C 0.17000 2
851 HD2 HC 0.10000 2
852 CE1 C 0.17000 2
853 HE1 HC 0.10000 2
854 NE2 NR -0.54000 2
855 C C 0.450 3
856 O O -0.450 3
857 [ bonds ]
858 N H gb_2
859 N CA gb_21
860 CA CB gb_27
861 CA C gb_27
862 CB CG gb_27
863 CG ND1 gb_10
864 CG CD2 gb_10
865 ND1 HD1 gb_2
866 ND1 CE1 gb_10
867 CD2 HD2 gb_3
868 CD2 NE2 gb_10
869 CE1 HE1 gb_3
870 CE1 NE2 gb_10
871 C O gb_5
872 C +N gb_10
873 [ exclusions ]
874 ; ai aj
875 CB HD1
876 CB HD2
877 CB CE1
878 CB NE2
879 CG HE1
880 ND1 HD2
881 HD1 CD2
882 HD1 HE1
883 HD1 NE2
884 CD2 HE1
885 HD2 CE1
886 [ angles ]
887 ; ai aj ak gromos type
888 -C N H ga_32
889 -C N CA ga_31
890 H N CA ga_18
891 N CA CB ga_13
892 N CA C ga_13
893 CB CA C ga_13
894 CA CB CG ga_15
895 CB CG ND1 ga_37
896 CB CG CD2 ga_37
897 ND1 CG CD2 ga_7
898 CG ND1 HD1 ga_36
899 CG ND1 CE1 ga_7
900 HD1 ND1 CE1 ga_36
901 CG CD2 HD2 ga_36
902 CG CD2 NE2 ga_7
903 HD2 CD2 NE2 ga_36
904 ND1 CE1 HE1 ga_36
905 ND1 CE1 NE2 ga_7
906 HE1 CE1 NE2 ga_36
907 CD2 NE2 CE1 ga_7
908 CA C O ga_30
909 CA C +N ga_19
910 O C +N ga_33
911 [ impropers ]
912 ; ai aj ak al gromos type
913 N -C CA H gi_1
914 CA N C CB gi_2
915 CG ND1 CD2 CB gi_1
916 CG ND1 CE1 NE2 gi_1
917 CG CD2 NE2 CE1 gi_1
918 ND1 CG CD2 NE2 gi_1
919 ND1 CG CE1 HD1 gi_1
920 ND1 CE1 NE2 CD2 gi_1
921 CD2 CG ND1 CE1 gi_1
922 CD2 CG NE2 HD2 gi_1
923 CE1 ND1 NE2 HE1 gi_1
924 C CA +N O gi_1
925 [ dihedrals ]
926 ; ai aj ak al gromos type
927 -CA -C N CA gd_14
928 -C N CA C gd_39
929 N CA CB CG gd_34
930 N CA C +N gd_40
931 CA CB CG ND1 gd_40
933 [ HISB ]
934 [ atoms ]
935 N N -0.31000 0
936 H H 0.31000 0
937 CA CH1 0.00000 1
938 CB CH2 0.00000 1
939 CG C 0.00000 2
940 ND1 NR -0.54000 2
941 CD2 C 0.17000 2
942 HD2 HC 0.10000 2
943 CE1 C 0.17000 2
944 HE1 HC 0.10000 2
945 NE2 NR -0.31000 2
946 HE2 H 0.31000 2
947 C C 0.450 3
948 O O -0.450 3
949 [ bonds ]
950 N H gb_2
951 N CA gb_21
952 CA CB gb_27
953 CA C gb_27
954 CB CG gb_27
955 CG ND1 gb_10
956 CG CD2 gb_10
957 ND1 CE1 gb_10
958 CD2 HD2 gb_3
959 CD2 NE2 gb_10
960 CE1 HE1 gb_3
961 CE1 NE2 gb_10
962 NE2 HE2 gb_2
963 C O gb_5
964 C +N gb_10
965 [ exclusions ]
966 ; ai aj
967 CB HD2
968 CB CE1
969 CB NE2
970 CG HE1
971 CG HE2
972 ND1 HD2
973 ND1 HE2
974 CD2 HE1
975 HD2 CE1
976 HD2 HE2
977 HE1 HE2
978 [ angles ]
979 ; ai aj ak gromos type
980 -C N H ga_32
981 -C N CA ga_31
982 H N CA ga_18
983 N CA CB ga_13
984 N CA C ga_13
985 CB CA C ga_13
986 CA CB CG ga_15
987 CB CG ND1 ga_37
988 CB CG CD2 ga_37
989 ND1 CG CD2 ga_7
990 CG ND1 CE1 ga_7
991 CG CD2 HD2 ga_36
992 CG CD2 NE2 ga_7
993 HD2 CD2 NE2 ga_36
994 ND1 CE1 HE1 ga_36
995 ND1 CE1 NE2 ga_7
996 HE1 CE1 NE2 ga_36
997 CD2 NE2 CE1 ga_7
998 CD2 NE2 HE2 ga_36
999 CE1 NE2 HE2 ga_36
1000 CA C O ga_30
1001 CA C +N ga_19
1002 O C +N ga_33
1003 [ impropers ]
1004 ; ai aj ak al gromos type
1005 N -C CA H gi_1
1006 CA N C CB gi_2
1007 CG ND1 CD2 CB gi_1
1008 CG ND1 CE1 NE2 gi_1
1009 CG CD2 NE2 CE1 gi_1
1010 ND1 CG CD2 NE2 gi_1
1011 ND1 CE1 NE2 CD2 gi_1
1012 CD2 CG ND1 CE1 gi_1
1013 CD2 CG NE2 HD2 gi_1
1014 CE1 ND1 NE2 HE1 gi_1
1015 NE2 CD2 CE1 HE2 gi_1
1016 C CA +N O gi_1
1017 [ dihedrals ]
1018 ; ai aj ak al gromos type
1019 -CA -C N CA gd_14
1020 -C N CA C gd_39
1021 N CA CB CG gd_34
1022 N CA C +N gd_40
1023 CA CB CG ND1 gd_40
1025 [ HISH ]
1026 [ atoms ]
1027 N N -0.31000 0
1028 H H 0.31000 0
1029 CA CH1 0.00000 1
1030 CB CH2 0.00000 1
1031 CG C -0.05000 2
1032 ND1 NR 0.38000 2
1033 HD1 H 0.30000 2
1034 CD2 C -0.10000 2
1035 HD2 HC 0.10000 2
1036 CE1 C -0.34000 2
1037 HE1 HC 0.10000 2
1038 NE2 NR 0.31000 2
1039 HE2 H 0.30000 2
1040 C C 0.450 3
1041 O O -0.450 3
1042 [ bonds ]
1043 N H gb_2
1044 N CA gb_21
1045 CA CB gb_27
1046 CA C gb_27
1047 CB CG gb_27
1048 CG ND1 gb_10
1049 CG CD2 gb_10
1050 ND1 HD1 gb_2
1051 ND1 CE1 gb_10
1052 CD2 HD2 gb_3
1053 CD2 NE2 gb_10
1054 CE1 HE1 gb_3
1055 CE1 NE2 gb_10
1056 NE2 HE2 gb_2
1057 C O gb_5
1058 C +N gb_10
1059 [ exclusions ]
1060 ; ai aj
1061 CB HD1
1062 CB HD2
1063 CB CE1
1064 CB NE2
1065 CG HE1
1066 CG HE2
1067 ND1 HD2
1068 ND1 HE2
1069 HD1 CD2
1070 HD1 HE1
1071 HD1 NE2
1072 CD2 HE1
1073 HD2 CE1
1074 HD2 HE2
1075 HE1 HE2
1076 [ angles ]
1077 ; ai aj ak gromos type
1078 -C N H ga_32
1079 -C N CA ga_31
1080 H N CA ga_18
1081 N CA CB ga_13
1082 N CA C ga_13
1083 CB CA C ga_13
1084 CA CB CG ga_15
1085 CB CG ND1 ga_37
1086 CB CG CD2 ga_37
1087 ND1 CG CD2 ga_7
1088 CG ND1 HD1 ga_36
1089 CG ND1 CE1 ga_7
1090 HD1 ND1 CE1 ga_36
1091 CG CD2 HD2 ga_36
1092 CG CD2 NE2 ga_7
1093 HD2 CD2 NE2 ga_36
1094 ND1 CE1 HE1 ga_36
1095 ND1 CE1 NE2 ga_7
1096 HE1 CE1 NE2 ga_36
1097 CD2 NE2 CE1 ga_7
1098 CD2 NE2 HE2 ga_36
1099 CE1 NE2 HE2 ga_36
1100 CA C O ga_30
1101 CA C +N ga_19
1102 O C +N ga_33
1103 [ impropers ]
1104 ; ai aj ak al gromos type
1105 N -C CA H gi_1
1106 CA N C CB gi_2
1107 CG ND1 CD2 CB gi_1
1108 CG ND1 CE1 NE2 gi_1
1109 CG CD2 NE2 CE1 gi_1
1110 ND1 CG CD2 NE2 gi_1
1111 ND1 CG CE1 HD1 gi_1
1112 ND1 CE1 NE2 CD2 gi_1
1113 CD2 CG ND1 CE1 gi_1
1114 CD2 CG NE2 HD2 gi_1
1115 CE1 ND1 NE2 HE1 gi_1
1116 NE2 CD2 CE1 HE2 gi_1
1117 C CA +N O gi_1
1118 [ dihedrals ]
1119 ; ai aj ak al gromos type
1120 -CA -C N CA gd_14
1121 -C N CA C gd_39
1122 N CA CB CG gd_34
1123 N CA C +N gd_40
1124 CA CB CG ND1 gd_40
1126 [ HIS1 ]
1127 [ atoms ]
1128 N N -0.31000 0
1129 H H 0.31000 0
1130 CA CH1 0.00000 1
1131 CB CH2 0.00000 1
1132 CG C 0.00000 2
1133 ND1 NR -0.31000 2
1134 HD1 H 0.31000 2
1135 CD2 C 0.17000 2
1136 HD2 HC 0.10000 2
1137 CE1 C 0.17000 2
1138 HE1 HC 0.10000 2
1139 NE2 NR -0.54000 2
1140 C C 0.450 3
1141 O O -0.450 3
1142 [ bonds ]
1143 N H gb_2
1144 N CA gb_21
1145 CA CB gb_27
1146 CA C gb_27
1147 CB CG gb_27
1148 CG ND1 gb_10
1149 CG CD2 gb_10
1150 ND1 HD1 gb_2
1151 ND1 CE1 gb_10
1152 CD2 HD2 gb_3
1153 CD2 NE2 gb_10
1154 CE1 HE1 gb_3
1155 CE1 NE2 gb_10
1156 C O gb_5
1157 C +N gb_10
1158 [ exclusions ]
1159 ; ai aj
1160 CB HD1
1161 CB HD2
1162 CB CE1
1163 CB NE2
1164 CG HE1
1165 ND1 HD2
1166 HD1 CD2
1167 HD1 HE1
1168 HD1 NE2
1169 CD2 HE1
1170 HD2 CE1
1171 [ angles ]
1172 ; ai aj ak gromos type
1173 -CA -C NE2 ga_2
1174 -C N H ga_32
1175 -C N CA ga_31
1176 H N CA ga_18
1177 N CA CB ga_13
1178 N CA C ga_13
1179 CB CA C ga_13
1180 CA CB CG ga_15
1181 CB CG ND1 ga_37
1182 CB CG CD2 ga_37
1183 ND1 CG CD2 ga_7
1184 CG ND1 HD1 ga_36
1185 CG ND1 CE1 ga_7
1186 HD1 ND1 CE1 ga_36
1187 CG CD2 HD2 ga_36
1188 CG CD2 NE2 ga_7
1189 HD2 CD2 NE2 ga_36
1190 ND1 CE1 HE1 ga_36
1191 ND1 CE1 NE2 ga_7
1192 HE1 CE1 NE2 ga_36
1193 -C NE2 CD2 ga_34
1194 -C NE2 CE1 ga_34
1195 CD2 NE2 CE1 ga_7
1196 CA C O ga_30
1197 CA C +N ga_19
1198 O C +N ga_33
1199 [ impropers ]
1200 ; ai aj ak al gromos type
1201 N -C CA H gi_1
1202 CA N C CB gi_2
1203 CG ND1 CD2 CB gi_1
1204 CG ND1 CE1 NE2 gi_1
1205 CG CD2 NE2 CE1 gi_1
1206 ND1 CG CD2 NE2 gi_1
1207 ND1 CG CE1 HD1 gi_1
1208 ND1 CE1 NE2 CD2 gi_1
1209 CD2 CG ND1 CE1 gi_1
1210 CD2 CG NE2 HD2 gi_1
1211 CE1 ND1 NE2 HE1 gi_1
1212 C CA +N O gi_1
1213 [ dihedrals ]
1214 ; ai aj ak al gromos type
1215 -CA -C N CA gd_14
1216 -CA -C NE2 CD2 gd_38
1217 -C N CA C gd_39
1218 N CA CB CG gd_34
1219 N CA C +N gd_40
1220 CA CB CG ND1 gd_40
1222 [ HIS2 ]
1223 [ atoms ]
1224 N N -0.31000 0
1225 H H 0.31000 0
1226 CA CH1 0.00000 1
1227 CB CH2 0.00000 1
1228 CG C 0.00000 2
1229 ND1 NR -0.31000 2
1230 HD1 H 0.31000 2
1231 CD2 C 0.17000 2
1232 HD2 HC 0.10000 2
1233 CE1 C 0.17000 2
1234 HE1 HC 0.10000 2
1235 NE2 NR -0.54000 2
1236 C C 0.450 3
1237 O O -0.450 3
1238 [ bonds ]
1239 N H gb_2
1240 N CA gb_21
1241 CA CB gb_27
1242 CA C gb_27
1243 CB CG gb_27
1244 CG ND1 gb_10
1245 CG CD2 gb_10
1246 ND1 HD1 gb_2
1247 ND1 CE1 gb_10
1248 CD2 HD2 gb_3
1249 CD2 NE2 gb_10
1250 CE1 HE1 gb_3
1251 CE1 NE2 gb_10
1252 C O gb_5
1253 C +N gb_10
1254 [ exclusions ]
1255 ; ai aj
1256 CB HD1
1257 CB HD2
1258 CB CE1
1259 CB NE2
1260 CG HE1
1261 ND1 HD2
1262 HD1 CD2
1263 HD1 HE1
1264 HD1 NE2
1265 CD2 HE1
1266 HD2 CE1
1267 [ angles ]
1268 ; ai aj ak gromos type
1269 -CA -C NE2 ga_2
1270 -C N H ga_32
1271 -C N CA ga_31
1272 H N CA ga_18
1273 N CA CB ga_13
1274 N CA C ga_13
1275 CB CA C ga_13
1276 CA CB CG ga_15
1277 CB CG ND1 ga_37
1278 CB CG CD2 ga_37
1279 ND1 CG CD2 ga_7
1280 CG ND1 HD1 ga_36
1281 CG ND1 CE1 ga_7
1282 HD1 ND1 CE1 ga_36
1283 CG CD2 HD2 ga_36
1284 CG CD2 NE2 ga_7
1285 HD2 CD2 NE2 ga_36
1286 ND1 CE1 HE1 ga_36
1287 ND1 CE1 NE2 ga_7
1288 HE1 CE1 NE2 ga_36
1289 -C NE2 CD2 ga_34
1290 -C NE2 CE1 ga_34
1291 CD2 NE2 CE1 ga_7
1292 CA C O ga_30
1293 CA C +N ga_19
1294 O C +N ga_33
1295 [ impropers ]
1296 ; ai aj ak al gromos type
1297 N -C CA H gi_1
1298 CA N C CB gi_2
1299 CG ND1 CD2 CB gi_1
1300 CG ND1 CE1 NE2 gi_1
1301 CG CD2 NE2 CE1 gi_1
1302 ND1 CG CD2 NE2 gi_1
1303 ND1 CG CE1 HD1 gi_1
1304 ND1 CE1 NE2 CD2 gi_1
1305 CD2 CG ND1 CE1 gi_1
1306 CD2 CG NE2 HD2 gi_1
1307 CE1 ND1 NE2 HE1 gi_1
1308 C CA +N O gi_1
1309 [ dihedrals ]
1310 ; ai aj ak al gromos type
1311 -CA -C N CA gd_14
1312 -CA -C NE2 CD2 gd_38
1313 -C N CA C gd_39
1314 N CA CB CG gd_34
1315 N CA C +N gd_40
1316 CA CB CG ND1 gd_40
1318 [ HYP ]
1319 [ atoms ]
1320 N N 0.00000 0
1321 CA CH1 0.00000 1
1322 CB CH2r 0.00000 1
1323 CG CH1 0.20800 2
1324 OD1 OA -0.61100 2
1325 HD1 H 0.40300 2
1326 CD2 CH2r 0.00000 3
1327 C C 0.450 4
1328 O O -0.450 4
1329 [ bonds ]
1330 N CA gb_21
1331 N CD2 gb_21
1332 CA CB gb_27
1333 CA C gb_27
1334 CB CG gb_27
1335 CG OD1 gb_18
1336 CG CD2 gb_27
1337 OD1 HD1 gb_1
1338 C O gb_5
1339 C +N gb_10
1340 [ angles ]
1341 ; ai aj ak gromos type
1342 -C N CA ga_31
1343 -C N CD2 ga_31
1344 CA N CD2 ga_21
1345 N CA CB ga_13
1346 N CA C ga_13
1347 CB CA C ga_13
1348 CA CB CG ga_13
1349 CB CG OD1 ga_13
1350 CB CG CD2 ga_13
1351 OD1 CG CD2 ga_13
1352 CG OD1 HD1 ga_12
1353 N CD2 CG ga_13
1354 CA C O ga_30
1355 CA C +N ga_19
1356 O C +N ga_33
1357 [ impropers ]
1358 ; ai aj ak al gromos type
1359 N -C CA CD2 gi_1
1360 CA N C CB gi_2
1361 OD1 CB CD2 CG gi_2
1362 C CA +N O gi_1
1363 [ dihedrals ]
1364 ; ai aj ak al gromos type
1365 -CA -C N CA gd_14
1366 -C N CA C gd_39
1367 CA N CD2 CG gd_39
1368 N CA CB CG gd_34
1369 N CA C +N gd_40
1370 CA CB CG CD2 gd_34
1371 CB CG OD1 HD1 gd_23
1372 CB CG CD2 N gd_34
1374 [ ILE ]
1375 [ atoms ]
1376 N N -0.31000 0
1377 H H 0.31000 0
1378 CA CH1 0.00000 1
1379 CB CH1 0.00000 2
1380 CG1 CH2 0.00000 2
1381 CG2 CH3 0.00000 2
1382 CD CH3 0.00000 2
1383 C C 0.450 3
1384 O O -0.450 3
1385 [ bonds ]
1386 N H gb_2
1387 N CA gb_21
1388 CA CB gb_27
1389 CA C gb_27
1390 CB CG1 gb_27
1391 CB CG2 gb_27
1392 CG1 CD gb_27
1393 C O gb_5
1394 C +N gb_10
1395 [ angles ]
1396 ; ai aj ak gromos type
1397 -C N H ga_32
1398 -C N CA ga_31
1399 H N CA ga_18
1400 N CA CB ga_13
1401 N CA C ga_13
1402 CB CA C ga_13
1403 CA CB CG1 ga_15
1404 CA CB CG2 ga_15
1405 CG1 CB CG2 ga_15
1406 CB CG1 CD ga_15
1407 CA C O ga_30
1408 CA C +N ga_19
1409 O C +N ga_33
1410 [ impropers ]
1411 ; ai aj ak al gromos type
1412 N -C CA H gi_1
1413 CA N C CB gi_2
1414 CB CG1 CG2 CA gi_2
1415 C CA +N O gi_1
1416 [ dihedrals ]
1417 ; ai aj ak al gromos type
1418 -CA -C N CA gd_14
1419 -C N CA C gd_39
1420 N CA CB CG1 gd_34
1421 N CA C +N gd_40
1422 CA CB CG1 CD gd_34
1424 [ LEU ]
1425 [ atoms ]
1426 N N -0.31000 0
1427 H H 0.31000 0
1428 CA CH1 0.00000 1
1429 CB CH2 0.00000 1
1430 CG CH1 0.00000 2
1431 CD1 CH3 0.00000 2
1432 CD2 CH3 0.00000 2
1433 C C 0.450 3
1434 O O -0.450 3
1435 [ bonds ]
1436 N H gb_2
1437 N CA gb_21
1438 CA CB gb_27
1439 CA C gb_27
1440 CB CG gb_27
1441 CG CD1 gb_27
1442 CG CD2 gb_27
1443 C O gb_5
1444 C +N gb_10
1445 [ angles ]
1446 ; ai aj ak gromos type
1447 -C N H ga_32
1448 -C N CA ga_31
1449 H N CA ga_18
1450 N CA CB ga_13
1451 N CA C ga_13
1452 CB CA C ga_13
1453 CA CB CG ga_15
1454 CB CG CD1 ga_15
1455 CB CG CD2 ga_15
1456 CD1 CG CD2 ga_15
1457 CA C O ga_30
1458 CA C +N ga_19
1459 O C +N ga_33
1460 [ impropers ]
1461 ; ai aj ak al gromos type
1462 N -C CA H gi_1
1463 CA N C CB gi_2
1464 CB CD1 CD2 CG gi_2
1465 C CA +N O gi_1
1466 [ dihedrals ]
1467 ; ai aj ak al gromos type
1468 -CA -C N CA gd_14
1469 -C N CA C gd_39
1470 N CA CB CG gd_34
1471 N CA C +N gd_40
1472 CA CB CG CD1 gd_34
1474 [ LYS ]
1475 [ atoms ]
1476 N N -0.31000 0
1477 H H 0.31000 0
1478 CA CH1 0.00000 1
1479 CB CH2 0.00000 1
1480 CG CH2 0.00000 2
1481 CD CH2 0.00000 2
1482 CE CH2 0.00000 3
1483 NZ NT -0.83000 3
1484 HZ1 H 0.41500 3
1485 HZ2 H 0.41500 3
1486 C C 0.450 4
1487 O O -0.450 4
1488 [ bonds ]
1489 N H gb_2
1490 N CA gb_21
1491 CA CB gb_27
1492 CA C gb_27
1493 CB CG gb_27
1494 CG CD gb_27
1495 CD CE gb_27
1496 CE NZ gb_21
1497 NZ HZ1 gb_2
1498 NZ HZ2 gb_2
1499 C O gb_5
1500 C +N gb_10
1501 [ angles ]
1502 ; ai aj ak gromos type
1503 -C N H ga_32
1504 -C N CA ga_31
1505 H N CA ga_18
1506 N CA CB ga_13
1507 N CA C ga_13
1508 CB CA C ga_13
1509 CA CB CG ga_15
1510 CB CG CD ga_15
1511 CG CD CE ga_15
1512 CD CE NZ ga_15
1513 CE NZ HZ1 ga_11
1514 CE NZ HZ2 ga_11
1515 HZ1 NZ HZ2 ga_10
1516 CA C O ga_30
1517 CA C +N ga_19
1518 O C +N ga_33
1519 [ impropers ]
1520 ; ai aj ak al gromos type
1521 N -C CA H gi_1
1522 CA N C CB gi_2
1523 C CA +N O gi_1
1524 [ dihedrals ]
1525 ; ai aj ak al gromos type
1526 -CA -C N CA gd_14
1527 -C N CA C gd_39
1528 N CA CB CG gd_34
1529 N CA C +N gd_40
1530 CA CB CG CD gd_34
1531 CB CG CD CE gd_34
1532 CG CD CE NZ gd_34
1533 CD CE NZ HZ1 gd_29
1535 [ LYSH ]
1536 [ atoms ]
1537 N N -0.31000 0
1538 H H 0.31000 0
1539 CA CH1 0.00000 1
1540 CB CH2 0.00000 1
1541 CG CH2 0.00000 2
1542 CD CH2 0.00000 2
1543 CE CH2 0.12700 3
1544 NZ NL 0.12900 3
1545 HZ1 H 0.24800 3
1546 HZ2 H 0.24800 3
1547 HZ3 H 0.24800 3
1548 C C 0.450 4
1549 O O -0.450 4
1550 [ bonds ]
1551 N H gb_2
1552 N CA gb_21
1553 CA CB gb_27
1554 CA C gb_27
1555 CB CG gb_27
1556 CG CD gb_27
1557 CD CE gb_27
1558 CE NZ gb_21
1559 NZ HZ1 gb_2
1560 NZ HZ2 gb_2
1561 NZ HZ3 gb_2
1562 C O gb_5
1563 C +N gb_10
1564 [ angles ]
1565 ; ai aj ak gromos type
1566 -C N H ga_32
1567 -C N CA ga_31
1568 H N CA ga_18
1569 N CA CB ga_13
1570 N CA C ga_13
1571 CB CA C ga_13
1572 CA CB CG ga_15
1573 CB CG CD ga_15
1574 CG CD CE ga_15
1575 CD CE NZ ga_15
1576 CE NZ HZ1 ga_11
1577 CE NZ HZ2 ga_11
1578 CE NZ HZ3 ga_11
1579 HZ1 NZ HZ2 ga_10
1580 HZ1 NZ HZ3 ga_10
1581 HZ2 NZ HZ3 ga_10
1582 CA C O ga_30
1583 CA C +N ga_19
1584 O C +N ga_33
1585 [ impropers ]
1586 ; ai aj ak al gromos type
1587 N -C CA H gi_1
1588 CA N C CB gi_2
1589 C CA +N O gi_1
1590 [ dihedrals ]
1591 ; ai aj ak al gromos type
1592 -CA -C N CA gd_14
1593 -C N CA C gd_39
1594 N CA CB CG gd_34
1595 N CA C +N gd_40
1596 CA CB CG CD gd_34
1597 CB CG CD CE gd_34
1598 CG CD CE NZ gd_34
1599 CD CE NZ HZ1 gd_29
1601 [ MET ]
1602 [ atoms ]
1603 N N -0.31000 0
1604 H H 0.31000 0
1605 CA CH1 0.00000 1
1606 CB CH2 0.00000 1
1607 CG CH2 0.15000 2
1608 SD S -0.30000 2
1609 CE CH3 0.15000 2
1610 C C 0.450 3
1611 O O -0.450 3
1612 [ bonds ]
1613 N H gb_2
1614 N CA gb_21
1615 CA CB gb_27
1616 CA C gb_27
1617 CB CG gb_27
1618 CG SD gb_32
1619 SD CE gb_31
1620 C O gb_5
1621 C +N gb_10
1622 [ angles ]
1623 ; ai aj ak gromos type
1624 -C N H ga_32
1625 -C N CA ga_31
1626 H N CA ga_18
1627 N CA CB ga_13
1628 N CA C ga_13
1629 CB CA C ga_13
1630 CA CB CG ga_15
1631 CB CG SD ga_16
1632 CG SD CE ga_4
1633 CA C O ga_30
1634 CA C +N ga_19
1635 O C +N ga_33
1636 [ impropers ]
1637 ; ai aj ak al gromos type
1638 N -C CA H gi_1
1639 CA N C CB gi_2
1640 C CA +N O gi_1
1641 [ dihedrals ]
1642 ; ai aj ak al gromos type
1643 -CA -C N CA gd_14
1644 -C N CA C gd_39
1645 N CA CB CG gd_34
1646 N CA C +N gd_40
1647 CA CB CG SD gd_34
1648 CB CG SD CE gd_26
1650 [ PHE ]
1651 [ atoms ]
1652 N N -0.31000 0
1653 H H 0.31000 0
1654 CA CH1 0.00000 1
1655 CB CH2 0.29200 1
1656 CG C -0.29200 1
1657 CD1 C -0.14600 2
1658 HD1 HC 0.14600 2
1659 CD2 C -0.14600 3
1660 HD2 HC 0.14600 3
1661 CE1 C -0.14600 4
1662 HE1 HC 0.14600 4
1663 CE2 C -0.14600 5
1664 HE2 HC 0.14600 5
1665 CZ C -0.14600 6
1666 HZ HC 0.14600 6
1667 C C 0.450 7
1668 O O -0.450 7
1669 [ bonds ]
1670 N H gb_2
1671 N CA gb_21
1672 CA CB gb_27
1673 CA C gb_27
1674 CB CG gb_27
1675 CG CD1 gb_16
1676 CG CD2 gb_16
1677 CD1 HD1 gb_3
1678 CD1 CE1 gb_16
1679 CD2 HD2 gb_3
1680 CD2 CE2 gb_16
1681 CE1 HE1 gb_3
1682 CE1 CZ gb_16
1683 CE2 HE2 gb_3
1684 CE2 CZ gb_16
1685 CZ HZ gb_3
1686 C O gb_5
1687 C +N gb_10
1688 [ exclusions ]
1689 ; ai aj
1690 CB HD1
1691 CB HD2
1692 CB CE1
1693 CB CE2
1694 CG HE1
1695 CG HE2
1696 CG CZ
1697 CD1 HD2
1698 CD1 CE2
1699 CD1 HZ
1700 HD1 CD2
1701 HD1 HE1
1702 HD1 CZ
1703 CD2 CE1
1704 CD2 HZ
1705 HD2 HE2
1706 HD2 CZ
1707 CE1 HE2
1708 HE1 CE2
1709 HE1 HZ
1710 HE2 HZ
1711 [ angles ]
1712 ; ai aj ak gromos type
1713 -C N H ga_32
1714 -C N CA ga_31
1715 H N CA ga_18
1716 N CA CB ga_13
1717 N CA C ga_13
1718 CB CA C ga_13
1719 CA CB CG ga_15
1720 CB CG CD1 ga_27
1721 CB CG CD2 ga_27
1722 CD1 CG CD2 ga_27
1723 CG CD1 HD1 ga_25
1724 CG CD1 CE1 ga_27
1725 HD1 CD1 CE1 ga_25
1726 CG CD2 HD2 ga_25
1727 CG CD2 CE2 ga_27
1728 HD2 CD2 CE2 ga_25
1729 CD1 CE1 HE1 ga_25
1730 CD1 CE1 CZ ga_27
1731 HE1 CE1 CZ ga_25
1732 CD2 CE2 HE2 ga_25
1733 CD2 CE2 CZ ga_27
1734 HE2 CE2 CZ ga_25
1735 CE1 CZ CE2 ga_27
1736 CE1 CZ HZ ga_25
1737 CE2 CZ HZ ga_25
1738 CA C O ga_30
1739 CA C +N ga_19
1740 O C +N ga_33
1741 [ impropers ]
1742 ; ai aj ak al gromos type
1743 N -C CA H gi_1
1744 CA N C CB gi_2
1745 CG CD1 CD2 CB gi_1
1746 CG CD1 CE1 CZ gi_1
1747 CG CD2 CE2 CZ gi_1
1748 CD1 CG CD2 CE2 gi_1
1749 CD1 CG CE1 HD1 gi_1
1750 CD1 CE1 CZ CE2 gi_1
1751 CD2 CG CD1 CE1 gi_1
1752 CD2 CG CE2 HD2 gi_1
1753 CD2 CE2 CZ CE1 gi_1
1754 HE1 CD1 CZ CE1 gi_1
1755 HE2 CD2 CZ CE2 gi_1
1756 CZ CE1 CE2 HZ gi_1
1757 C CA +N O gi_1
1758 [ dihedrals ]
1759 ; ai aj ak al gromos type
1760 -CA -C N CA gd_14
1761 -C N CA C gd_39
1762 N CA CB CG gd_34
1763 N CA C +N gd_40
1764 CA CB CG CD1 gd_40
1766 [ PRO ]
1767 [ atoms ]
1768 N N 0.00000 0
1769 CA CH1 0.00000 1
1770 CB CH2r 0.00000 1
1771 CG CH2r 0.00000 2
1772 CD CH2r 0.00000 2
1773 C C 0.450 3
1774 O O -0.450 3
1775 [ bonds ]
1776 N CA gb_21
1777 N CD gb_21
1778 CA CB gb_27
1779 CA C gb_27
1780 CB CG gb_27
1781 CG CD gb_27
1782 C O gb_5
1783 C +N gb_10
1784 [ angles ]
1785 ; ai aj ak gromos type
1786 -C N CA ga_31
1787 -C N CD ga_31
1788 CA N CD ga_21
1789 N CA CB ga_13
1790 N CA C ga_13
1791 CB CA C ga_13
1792 CA CB CG ga_13
1793 CB CG CD ga_13
1794 N CD CG ga_13
1795 CA C O ga_30
1796 CA C +N ga_19
1797 O C +N ga_33
1798 [ impropers ]
1799 ; ai aj ak al gromos type
1800 N -C CA CD gi_1
1801 CA N C CB gi_2
1802 C CA +N O gi_1
1803 [ dihedrals ]
1804 ; ai aj ak al gromos type
1805 -CA -C N CA gd_14
1806 -C N CA C gd_39
1807 CA N CD CG gd_39
1808 N CA CB CG gd_34
1809 N CA C +N gd_40
1810 CA CB CG CD gd_34
1811 CB CG CD N gd_34
1813 [ SER ]
1814 [ atoms ]
1815 N N -0.31000 0
1816 H H 0.31000 0
1817 CA CH1 0.00000 1
1818 CB CH2 0.20800 2
1819 OG OA -0.61100 2
1820 HG H 0.40300 2
1821 C C 0.450 3
1822 O O -0.450 3
1823 [ bonds ]
1824 N H gb_2
1825 N CA gb_21
1826 CA CB gb_27
1827 CA C gb_27
1828 CB OG gb_18
1829 OG HG gb_1
1830 C O gb_5
1831 C +N gb_10
1832 [ angles ]
1833 ; ai aj ak gromos type
1834 -C N H ga_32
1835 -C N CA ga_31
1836 H N CA ga_18
1837 N CA CB ga_13
1838 N CA C ga_13
1839 CB CA C ga_13
1840 CA CB OG ga_13
1841 CB OG HG ga_12
1842 CA C O ga_30
1843 CA C +N ga_19
1844 O C +N ga_33
1845 [ impropers ]
1846 ; ai aj ak al gromos type
1847 N -C CA H gi_1
1848 CA N C CB gi_2
1849 C CA +N O gi_1
1850 [ dihedrals ]
1851 ; ai aj ak al gromos type
1852 -CA -C N CA gd_14
1853 -C N CA C gd_39
1854 N CA CB OG gd_34
1855 N CA C +N gd_40
1856 CA CB OG HG gd_23
1858 [ THR ]
1859 [ atoms ]
1860 N N -0.31000 0
1861 H H 0.31000 0
1862 CA CH1 0.00000 1
1863 CB CH1 0.20800 2
1864 OG1 OA -0.61100 2
1865 HG1 H 0.40300 2
1866 CG2 CH3 0.00000 3
1867 C C 0.450 4
1868 O O -0.450 4
1869 [ bonds ]
1870 N H gb_2
1871 N CA gb_21
1872 CA CB gb_27
1873 CA C gb_27
1874 CB OG1 gb_18
1875 CB CG2 gb_27
1876 OG1 HG1 gb_1
1877 C O gb_5
1878 C +N gb_10
1879 [ angles ]
1880 ; ai aj ak gromos type
1881 -C N H ga_32
1882 -C N CA ga_31
1883 H N CA ga_18
1884 N CA CB ga_13
1885 N CA C ga_13
1886 CB CA C ga_13
1887 CA CB OG1 ga_13
1888 CA CB CG2 ga_15
1889 OG1 CB CG2 ga_15
1890 CB OG1 HG1 ga_12
1891 CA C O ga_30
1892 CA C +N ga_19
1893 O C +N ga_33
1894 [ impropers ]
1895 ; ai aj ak al gromos type
1896 N -C CA H gi_1
1897 CA N C CB gi_2
1898 CB OG1 CG2 CA gi_2
1899 C CA +N O gi_1
1900 [ dihedrals ]
1901 ; ai aj ak al gromos type
1902 -CA -C N CA gd_14
1903 -C N CA C gd_39
1904 N CA CB OG1 gd_34
1905 N CA C +N gd_40
1906 CA CB OG1 HG1 gd_23
1908 [ TRP ]
1909 [ atoms ]
1910 N N -0.31000 0
1911 H H 0.31000 0
1912 CA CH1 0.00000 1
1913 CB CH2 0.00000 1
1914 CG C 0.00000 2
1915 CD1 C -0.14600 3
1916 HD1 HC 0.14600 3
1917 CD2 C 0.00000 4
1918 NE1 NR -0.31000 5
1919 HE1 H 0.31000 5
1920 CE2 C 0.00000 6
1921 CE3 C -0.14600 7
1922 HE3 HC 0.14600 7
1923 CZ2 C -0.14600 8
1924 HZ2 HC 0.14600 8
1925 CZ3 C -0.14600 9
1926 HZ3 HC 0.14600 9
1927 CH2 C -0.14600 10
1928 HH2 HC 0.14600 10
1929 C C 0.450 11
1930 O O -0.450 11
1931 [ bonds ]
1932 N H gb_2
1933 N CA gb_21
1934 CA CB gb_27
1935 CA C gb_27
1936 CB CG gb_27
1937 CG CD1 gb_10
1938 CG CD2 gb_16
1939 CD1 HD1 gb_3
1940 CD1 NE1 gb_10
1941 CD2 CE2 gb_16
1942 CD2 CE3 gb_16
1943 NE1 HE1 gb_2
1944 NE1 CE2 gb_10
1945 CE2 CZ2 gb_16
1946 CE3 HE3 gb_3
1947 CE3 CZ3 gb_16
1948 CZ2 HZ2 gb_3
1949 CZ2 CH2 gb_16
1950 CZ3 HZ3 gb_3
1951 CZ3 CH2 gb_16
1952 CH2 HH2 gb_3
1953 C O gb_5
1954 C +N gb_10
1955 [ exclusions ]
1956 ; ai aj
1957 CB HD1
1958 CB NE1
1959 CB CE2
1960 CB CE3
1961 CG HE1
1962 CG HE3
1963 CG CZ2
1964 CG CZ3
1965 CD1 CE3
1966 CD1 CZ2
1967 HD1 CD2
1968 HD1 HE1
1969 HD1 CE2
1970 CD2 HE1
1971 CD2 HZ2
1972 CD2 HZ3
1973 CD2 CH2
1974 NE1 CE3
1975 NE1 HZ2
1976 NE1 CH2
1977 HE1 CZ2
1978 CE2 HE3
1979 CE2 CZ3
1980 CE2 HH2
1981 CE3 CZ2
1982 CE3 HH2
1983 HE3 HZ3
1984 HE3 CH2
1985 CZ2 HZ3
1986 HZ2 CZ3
1987 HZ2 HH2
1988 HZ3 HH2
1989 [ angles ]
1990 ; ai aj ak gromos type
1991 -C N H ga_32
1992 -C N CA ga_31
1993 H N CA ga_18
1994 N CA CB ga_13
1995 N CA C ga_13
1996 CB CA C ga_13
1997 CA CB CG ga_15
1998 CB CG CD1 ga_37
1999 CB CG CD2 ga_37
2000 CD1 CG CD2 ga_7
2001 CG CD1 HD1 ga_36
2002 CG CD1 NE1 ga_7
2003 HD1 CD1 NE1 ga_36
2004 CG CD2 CE2 ga_7
2005 CG CD2 CE3 ga_39
2006 CE2 CD2 CE3 ga_27
2007 CD1 NE1 HE1 ga_36
2008 CD1 NE1 CE2 ga_7
2009 HE1 NE1 CE2 ga_36
2010 CD2 CE2 NE1 ga_7
2011 CD2 CE2 CZ2 ga_27
2012 NE1 CE2 CZ2 ga_39
2013 CD2 CE3 HE3 ga_25
2014 CD2 CE3 CZ3 ga_27
2015 HE3 CE3 CZ3 ga_25
2016 CE2 CZ2 HZ2 ga_25
2017 CE2 CZ2 CH2 ga_27
2018 HZ2 CZ2 CH2 ga_25
2019 CE3 CZ3 HZ3 ga_25
2020 CE3 CZ3 CH2 ga_27
2021 HZ3 CZ3 CH2 ga_25
2022 CZ2 CH2 CZ3 ga_27
2023 CZ2 CH2 HH2 ga_25
2024 CZ3 CH2 HH2 ga_25
2025 CA C O ga_30
2026 CA C +N ga_19
2027 O C +N ga_33
2028 [ impropers ]
2029 ; ai aj ak al gromos type
2030 N -C CA H gi_1
2031 CA N C CB gi_2
2032 CG CD1 CD2 CB gi_1
2033 CG CD1 NE1 CE2 gi_1
2034 CG CD2 CE2 NE1 gi_1
2035 CD1 CG CD2 CE2 gi_1
2036 CD1 CG NE1 HD1 gi_1
2037 CD1 NE1 CE2 CD2 gi_1
2038 CD2 CG CD1 NE1 gi_1
2039 CD2 CE2 CE3 CG gi_1
2040 CD2 CE2 CZ2 CH2 gi_1
2041 CD2 CE3 CZ3 CH2 gi_1
2042 NE1 CD1 CE2 HE1 gi_1
2043 CE2 CD2 CE3 CZ3 gi_1
2044 CE2 CD2 CZ2 NE1 gi_1
2045 CE2 CZ2 CH2 CZ3 gi_1
2046 CE3 CD2 CE2 CZ2 gi_1
2047 CE3 CD2 CZ3 HE3 gi_1
2048 CE3 CZ3 CH2 CZ2 gi_1
2049 CZ2 CE2 CH2 HZ2 gi_1
2050 CZ3 CE3 CH2 HZ3 gi_1
2051 CH2 CZ2 CZ3 HH2 gi_1
2052 C CA +N O gi_1
2053 [ dihedrals ]
2054 ; ai aj ak al gromos type
2055 -CA -C N CA gd_14
2056 -C N CA C gd_39
2057 N CA CB CG gd_34
2058 N CA C +N gd_40
2059 CA CB CG CD2 gd_40
2061 [ TYR ]
2062 [ atoms ]
2063 N N -0.31000 0
2064 H H 0.31000 0
2065 CA CH1 0.00000 1
2066 CB CH2 0.29200 1
2067 CG C -0.29200 1
2068 CD1 C -0.14600 2
2069 HD1 HC 0.14600 2
2070 CD2 C -0.14600 3
2071 HD2 HC 0.14600 3
2072 CE1 C -0.14600 4
2073 HE1 HC 0.14600 4
2074 CE2 C -0.14600 5
2075 HE2 HC 0.14600 5
2076 CZ C 0.20800 6
2077 OH OA -0.61100 6
2078 HH H 0.40300 6
2079 C C 0.450 7
2080 O O -0.450 7
2081 [ bonds ]
2082 N H gb_2
2083 N CA gb_21
2084 CA CB gb_27
2085 CA C gb_27
2086 CB CG gb_27
2087 CG CD1 gb_16
2088 CG CD2 gb_16
2089 CD1 HD1 gb_3
2090 CD1 CE1 gb_16
2091 CD2 HD2 gb_3
2092 CD2 CE2 gb_16
2093 CE1 HE1 gb_3
2094 CE1 CZ gb_16
2095 CE2 HE2 gb_3
2096 CE2 CZ gb_16
2097 CZ OH gb_13
2098 OH HH gb_1
2099 C O gb_5
2100 C +N gb_10
2101 [ exclusions ]
2102 ; ai aj
2103 CB HD1
2104 CB HD2
2105 CB CE1
2106 CB CE2
2107 CG HE1
2108 CG HE2
2109 CG CZ
2110 CD1 HD2
2111 CD1 CE2
2112 CD1 OH
2113 HD1 CD2
2114 HD1 HE1
2115 HD1 CZ
2116 CD2 CE1
2117 CD2 OH
2118 HD2 HE2
2119 HD2 CZ
2120 CE1 HE2
2121 HE1 CE2
2122 HE1 OH
2123 HE2 OH
2124 [ angles ]
2125 ; ai aj ak gromos type
2126 -C N H ga_32
2127 -C N CA ga_31
2128 H N CA ga_18
2129 N CA CB ga_13
2130 N CA C ga_13
2131 CB CA C ga_13
2132 CA CB CG ga_15
2133 CB CG CD1 ga_27
2134 CB CG CD2 ga_27
2135 CD1 CG CD2 ga_27
2136 CG CD1 HD1 ga_25
2137 CG CD1 CE1 ga_27
2138 HD1 CD1 CE1 ga_25
2139 CG CD2 HD2 ga_25
2140 CG CD2 CE2 ga_27
2141 HD2 CD2 CE2 ga_25
2142 CD1 CE1 HE1 ga_25
2143 CD1 CE1 CZ ga_27
2144 HE1 CE1 CZ ga_25
2145 CD2 CE2 HE2 ga_25
2146 CD2 CE2 CZ ga_27
2147 HE2 CE2 CZ ga_25
2148 CE1 CZ CE2 ga_27
2149 CE1 CZ OH ga_27
2150 CE2 CZ OH ga_27
2151 CZ OH HH ga_12
2152 CA C O ga_30
2153 CA C +N ga_19
2154 O C +N ga_33
2155 [ impropers ]
2156 ; ai aj ak al gromos type
2157 N -C CA H gi_1
2158 CA N C CB gi_2
2159 CG CD1 CD2 CB gi_1
2160 CG CD1 CE1 CZ gi_1
2161 CG CD2 CE2 CZ gi_1
2162 CD1 CG CD2 CE2 gi_1
2163 CD1 CG CE1 HD1 gi_1
2164 CD1 CE1 CZ CE2 gi_1
2165 CD2 CG CD1 CE1 gi_1
2166 CD2 CG CE2 HD2 gi_1
2167 CD2 CE2 CZ CE1 gi_1
2168 HE1 CD1 CZ CE1 gi_1
2169 HE2 CD2 CZ CE2 gi_1
2170 CZ CE1 CE2 OH gi_1
2171 C CA +N O gi_1
2172 [ dihedrals ]
2173 ; ai aj ak al gromos type
2174 -CA -C N CA gd_14
2175 -C N CA C gd_39
2176 N CA CB CG gd_34
2177 N CA C +N gd_40
2178 CA CB CG CD1 gd_40
2179 CE1 CZ OH HH gd_11
2181 [ VAL ]
2182 [ atoms ]
2183 N N -0.31000 0
2184 H H 0.31000 0
2185 CA CH1 0.00000 1
2186 CB CH1 0.00000 1
2187 CG1 CH3 0.00000 1
2188 CG2 CH3 0.00000 1
2189 C C 0.450 2
2190 O O -0.450 2
2191 [ bonds ]
2192 N H gb_2
2193 N CA gb_21
2194 CA CB gb_27
2195 CA C gb_27
2196 CB CG1 gb_27
2197 CB CG2 gb_27
2198 C O gb_5
2199 C +N gb_10
2200 [ angles ]
2201 ; ai aj ak gromos type
2202 -C N H ga_32
2203 -C N CA ga_31
2204 H N CA ga_18
2205 N CA CB ga_13
2206 N CA C ga_13
2207 CB CA C ga_13
2208 CA CB CG1 ga_15
2209 CA CB CG2 ga_15
2210 CG1 CB CG2 ga_15
2211 CA C O ga_30
2212 CA C +N ga_19
2213 O C +N ga_33
2214 [ impropers ]
2215 ; ai aj ak al gromos type
2216 N -C CA H gi_1
2217 CA N C CB gi_2
2218 CA CG1 CG2 CB gi_2
2219 C CA +N O gi_1
2220 [ dihedrals ]
2221 ; ai aj ak al gromos type
2222 -CA -C N CA gd_14
2223 -C N CA C gd_39
2224 N CA CB CG1 gd_34
2225 N CA C +N gd_40
2227 [ DALA ]
2228 [ atoms ]
2229 N N -0.31000 0
2230 H H 0.31000 0
2231 CA CH1 0.00000 1
2232 CB CH3 0.00000 1
2233 C C 0.450 2
2234 O O -0.450 2
2235 [ bonds ]
2236 N H gb_2
2237 N CA gb_21
2238 CA CB gb_27
2239 CA C gb_27
2240 C O gb_5
2241 C +N gb_10
2242 [ angles ]
2243 ; ai aj ak gromos type
2244 -C N H ga_32
2245 -C N CA ga_31
2246 H N CA ga_18
2247 N CA CB ga_13
2248 N CA C ga_13
2249 CB CA C ga_13
2250 CA C O ga_30
2251 CA C +N ga_19
2252 O C +N ga_33
2253 [ impropers ]
2254 ; ai aj ak al gromos type
2255 N -C CA H gi_1
2256 CB N C CA gi_2
2257 C CA +N O gi_1
2258 [ dihedrals ]
2259 ; ai aj ak al gromos type
2260 -CA -C N CA gd_14
2261 -C N CA C gd_39
2262 N CA C +N gd_40
2264 [ ABU ]
2265 [ atoms ]
2266 N N -0.31000 0
2267 H H 0.31000 0
2268 CA CH1 0.00000 1
2269 CB CH2 0.00000 1
2270 CG CH3 0.00000 1
2271 C C 0.450 2
2272 O O -0.450 2
2273 [ bonds ]
2274 N H gb_2
2275 N CA gb_21
2276 CA CB gb_27
2277 CA C gb_27
2278 CB CG gb_27
2279 C O gb_5
2280 C +N gb_10
2281 [ angles ]
2282 ; ai aj ak gromos type
2283 -C N H ga_32
2284 -C N CA ga_31
2285 H N CA ga_18
2286 N CA CB ga_13
2287 N CA C ga_13
2288 CB CA C ga_13
2289 CA CB CG ga_15
2290 CA C O ga_30
2291 CA C +N ga_19
2292 O C +N ga_33
2293 [ impropers ]
2294 ; ai aj ak al gromos type
2295 N -C CA H gi_1
2296 CA N C CB gi_2
2297 C CA +N O gi_1
2298 [ dihedrals ]
2299 ; ai aj ak al gromos type
2300 -CA -C N CA gd_14
2301 -C N CA C gd_39
2302 N CA CB CG gd_34
2303 N CA C +N gd_40
2305 [ MEBMT ]
2306 [ atoms ]
2307 N N 0.00000 0
2308 CN CH3 0.00000 0
2309 CA CH1 0.00000 1
2310 CB CH1 0.20800 2
2311 OG1 OA -0.61100 2
2312 HG1 H 0.40300 2
2313 CG2 CH1 0.00000 3
2314 CD1 CH3 0.00000 3
2315 CD2 CH2 0.00000 3
2316 CE CR1 0.00000 4
2317 CZ CR1 0.00000 4
2318 CH CH3 0.00000 4
2319 C C 0.450 5
2320 O O -0.450 5
2321 [ bonds ]
2322 N CN gb_21
2323 N CA gb_21
2324 CA CB gb_27
2325 CA C gb_27
2326 CB OG1 gb_18
2327 CB CG2 gb_27
2328 OG1 HG1 gb_1
2329 CG2 CD1 gb_27
2330 CG2 CD2 gb_27
2331 CD2 CE gb_27
2332 CE CZ gb_10
2333 CZ CH gb_27
2334 C O gb_5
2335 C +N gb_10
2336 [ angles ]
2337 ; ai aj ak gromos type
2338 -C N CN ga_22
2339 -C N CA ga_31
2340 CN N CA ga_30
2341 N CA CB ga_13
2342 N CA C ga_13
2343 CB CA C ga_13
2344 CA CB OG1 ga_13
2345 CA CB CG2 ga_15
2346 OG1 CB CG2 ga_15
2347 CB OG1 HG1 ga_12
2348 CB CG2 CD1 ga_15
2349 CB CG2 CD2 ga_15
2350 CD1 CG2 CD2 ga_15
2351 CG2 CD2 CE ga_15
2352 CD2 CE CZ ga_27
2353 CE CZ CH ga_27
2354 CA C O ga_30
2355 CA C +N ga_19
2356 O C +N ga_33
2357 [ impropers ]
2358 ; ai aj ak al gromos type
2359 N -C CA CN gi_1
2360 CA N C CB gi_2
2361 CB OG1 CG2 CA gi_2
2362 CG2 CD1 CD2 CB gi_2
2363 C CA +N O gi_1
2364 [ dihedrals ]
2365 ; ai aj ak al gromos type
2366 -CA -C N CA gd_14
2367 -C N CA C gd_39
2368 N CA CB CG2 gd_34
2369 N CA C +N gd_40
2370 CA CB OG1 HG1 gd_23
2371 CA CB CG2 CD2 gd_34
2372 CB CG2 CD2 CE gd_34
2373 CG2 CD2 CE CZ gd_40
2374 CD2 CE CZ CH gd_14
2376 [ MELEU ]
2377 [ atoms ]
2378 N N 0.00000 0
2379 CN CH3 0.00000 0
2380 CA CH1 0.00000 1
2381 CB CH2 0.00000 1
2382 CG CH1 0.00000 2
2383 CD1 CH3 0.00000 2
2384 CD2 CH3 0.00000 2
2385 C C 0.450 3
2386 O O -0.450 3
2387 [ bonds ]
2388 N CN gb_21
2389 N CA gb_21
2390 CA CB gb_27
2391 CA C gb_27
2392 CB CG gb_27
2393 CG CD1 gb_27
2394 CG CD2 gb_27
2395 C O gb_5
2396 C +N gb_10
2397 [ angles ]
2398 ; ai aj ak gromos type
2399 -C N CN ga_22
2400 -C N CA ga_31
2401 CN N CA ga_30
2402 N CA CB ga_13
2403 N CA C ga_13
2404 CB CA C ga_13
2405 CA CB CG ga_15
2406 CB CG CD1 ga_15
2407 CB CG CD2 ga_15
2408 CD1 CG CD2 ga_15
2409 CA C O ga_30
2410 CA C +N ga_19
2411 O C +N ga_33
2412 [ impropers ]
2413 ; ai aj ak al gromos type
2414 N -C CA CN gi_1
2415 CA N C CB gi_2
2416 CB CD1 CD2 CG gi_2
2417 C CA +N O gi_1
2418 [ dihedrals ]
2419 ; ai aj ak al gromos type
2420 -CA -C N CA gd_14
2421 -C N CA C gd_39
2422 N CA CB CG gd_34
2423 N CA C +N gd_40
2424 CA CB CG CD1 gd_34
2426 [ MEVAL ]
2427 [ atoms ]
2428 N N 0.00000 0
2429 CN CH3 0.00000 0
2430 CA CH1 0.00000 1
2431 CB CH1 0.00000 1
2432 CG1 CH3 0.00000 1
2433 CG2 CH3 0.00000 1
2434 C C 0.450 2
2435 O O -0.450 2
2436 [ bonds ]
2437 N CN gb_21
2438 N CA gb_21
2439 CA CB gb_27
2440 CA C gb_27
2441 CB CG1 gb_27
2442 CB CG2 gb_27
2443 C O gb_5
2444 C +N gb_10
2445 [ angles ]
2446 ; ai aj ak gromos type
2447 -C N CN ga_22
2448 -C N CA ga_31
2449 CN N CA ga_30
2450 N CA CB ga_13
2451 N CA C ga_13
2452 CB CA C ga_13
2453 CA CB CG1 ga_15
2454 CA CB CG2 ga_15
2455 CG1 CB CG2 ga_15
2456 CA C O ga_30
2457 CA C +N ga_19
2458 O C +N ga_33
2459 [ impropers ]
2460 ; ai aj ak al gromos type
2461 N -C CA CN gi_1
2462 CA N C CB gi_2
2463 CA CG1 CG2 CB gi_2
2464 C CA +N O gi_1
2465 [ dihedrals ]
2466 ; ai aj ak al gromos type
2467 -CA -C N CA gd_14
2468 -C N CA C gd_39
2469 N CA CB CG1 gd_34
2470 N CA C +N gd_40
2472 [ SAR ]
2473 [ atoms ]
2474 N N 0.00000 0
2475 CN CH3 0.00000 0
2476 CA CH2 0.00000 1
2477 C C 0.450 2
2478 O O -0.450 2
2479 [ bonds ]
2480 N CN gb_21
2481 N CA gb_21
2482 CA C gb_27
2483 C O gb_5
2484 C +N gb_10
2485 [ angles ]
2486 ; ai aj ak gromos type
2487 -C N CN ga_22
2488 -C N CA ga_31
2489 CN N CA ga_30
2490 N CA C ga_13
2491 CA C O ga_30
2492 CA C +N ga_19
2493 O C +N ga_33
2494 [ impropers ]
2495 ; ai aj ak al gromos type
2496 N -C CA CN gi_1
2497 C CA +N O gi_1
2498 [ dihedrals ]
2499 ; ai aj ak al gromos type
2500 -CA -C N CA gd_14
2501 -C N CA C gd_39
2502 N CA C +N gd_40
2504 [ DADE ]
2505 [ atoms ]
2506 P P 0.99000 0
2507 O1P OM -0.63500 0
2508 O2P OM -0.63500 0
2509 O5* OA -0.36000 0
2510 C5* CH2 0.00000 1
2511 C4* CH1 0.16000 2
2512 O4* OA -0.36000 2
2513 C1* CH1 0.20000 2
2514 N9 NR -0.20000 3
2515 C4 C 0.20000 3
2516 N3 NR -0.54000 4
2517 C2 C 0.44000 4
2518 H2 HC 0.10000 4
2519 N1 NR -0.54000 5
2520 C6 C 0.54000 5
2521 N6 NT -0.83000 6
2522 H61 H 0.41500 6
2523 H62 H 0.41500 6
2524 C5 C 0.00000 7
2525 N7 NR -0.54000 7
2526 C8 C 0.44000 7
2527 H8 HC 0.10000 7
2528 C2* CH2r 0.00000 8
2529 C3* CH1 0.000 8
2530 O3* OA -0.360 9
2531 [ bonds ]
2532 P O1P gb_24
2533 P O2P gb_24
2534 P O5* gb_28
2535 O5* C5* gb_20
2536 C5* C4* gb_26
2537 C4* O4* gb_20
2538 C4* C3* gb_26
2539 O4* C1* gb_20
2540 C1* N9 gb_22
2541 C1* C2* gb_26
2542 N9 C4 gb_10
2543 N9 C8 gb_10
2544 C4 N3 gb_12
2545 C4 C5 gb_16
2546 N3 C2 gb_7
2547 C2 H2 gb_3
2548 C2 N1 gb_7
2549 N1 C6 gb_12
2550 C6 N6 gb_9
2551 C6 C5 gb_16
2552 N6 H61 gb_2
2553 N6 H62 gb_2
2554 C5 N7 gb_10
2555 N7 C8 gb_10
2556 C8 H8 gb_3
2557 C2* C3* gb_26
2558 C3* O3* gb_20
2559 O3* +P gb_28
2560 [ exclusions ]
2561 ; ai aj
2562 C1* N3
2563 C1* C5
2564 C1* N7
2565 C1* H8
2566 N9 C2
2567 N9 C6
2568 C4 H2
2569 C4 N1
2570 C4 N6
2571 C4 H8
2572 N3 C6
2573 N3 N7
2574 N3 C8
2575 C2 N6
2576 C2 C5
2577 H2 C6
2578 N1 N7
2579 C6 C8
2580 N6 N7
2581 H61 N7
2582 H62 N7
2583 C5 H8
2584 [ angles ]
2585 ; ai aj ak gromos type
2586 -O3* P O1P ga_14
2587 -O3* P O2P ga_14
2588 -O3* P O5* ga_5
2589 O1P P O2P ga_29
2590 O1P P O5* ga_14
2591 O2P P O5* ga_14
2592 P O5* C5* ga_26
2593 O5* C5* C4* ga_9
2594 C5* C4* O4* ga_9
2595 C5* C4* C3* ga_8
2596 O4* C4* C3* ga_9
2597 C4* O4* C1* ga_10
2598 O4* C1* N9 ga_9
2599 O4* C1* C2* ga_9
2600 N9 C1* C2* ga_9
2601 C1* N9 C4 ga_37
2602 C1* N9 C8 ga_37
2603 C4 N9 C8 ga_7
2604 N9 C4 N3 ga_39
2605 N9 C4 C5 ga_7
2606 N3 C4 C5 ga_27
2607 C4 N3 C2 ga_27
2608 N3 C2 H2 ga_25
2609 N3 C2 N1 ga_27
2610 H2 C2 N1 ga_25
2611 C2 N1 C6 ga_27
2612 N1 C6 N6 ga_27
2613 N1 C6 C5 ga_27
2614 N6 C6 C5 ga_27
2615 C6 N6 H61 ga_23
2616 C6 N6 H62 ga_23
2617 H61 N6 H62 ga_24
2618 C4 C5 C6 ga_27
2619 C4 C5 N7 ga_7
2620 C6 C5 N7 ga_39
2621 C5 N7 C8 ga_7
2622 N9 C8 N7 ga_7
2623 N9 C8 H8 ga_36
2624 N7 C8 H8 ga_36
2625 C1* C2* C3* ga_8
2626 C4* C3* C2* ga_8
2627 C4* C3* O3* ga_9
2628 C2* C3* O3* ga_9
2629 C3* O3* +P ga_26
2630 [ impropers ]
2631 ; ai aj ak al gromos type
2632 C1* C4 C8 N9 gi_1
2633 N9 C4 C5 N7 gi_1
2634 C4 N9 N3 C5 gi_1
2635 C4 N9 C8 N7 gi_1
2636 C4 N3 C2 N1 gi_1
2637 C4 C5 N7 C8 gi_1
2638 N3 C4 C5 C6 gi_1
2639 N3 C2 N1 C6 gi_1
2640 C2 N3 H2 N1 gi_1
2641 C2 N1 C6 C5 gi_1
2642 N1 C6 C5 C4 gi_1
2643 N6 N1 C5 C6 gi_1
2644 N6 H61 H62 C6 gi_1
2645 C5 C4 N3 C2 gi_1
2646 C5 C6 N7 C4 gi_1
2647 C5 N7 C8 N9 gi_1
2648 C8 N9 C4 C5 gi_1
2649 C8 N9 N7 H8 gi_1
2650 C2* O4* N9 C1* gi_2
2651 C3* C5* O4* C4* gi_2
2652 C3* C2* O3* C4* gi_2
2653 [ dihedrals ]
2654 ; ai aj ak al gromos type
2655 -C3* -O3* P O5* gd_20
2656 -C3* -O3* P O5* gd_27
2657 -O3* P O5* C5* gd_20
2658 -O3* P O5* C5* gd_27
2659 P O5* C5* C4* gd_7
2660 O5* C5* C4* O4* gd_8
2661 O5* C5* C4* O4* gd_25
2662 O5* C5* C4* C3* gd_17
2663 O5* C5* C4* C3* gd_34
2664 C3* C4* O4* C1* gd_29
2665 C5* C4* C3* C2* gd_34
2666 C5* C4* C3* O3* gd_17
2667 O4* C4* C3* C2* gd_17
2668 O4* C4* C3* O3* gd_18
2669 C4* O4* C1* C2* gd_29
2670 O4* C1* N9 C4 gd_16
2671 O4* C1* C2* C3* gd_17
2672 O4* C1* C2* C3* gd_34
2673 C5 C6 N6 H61 gd_14
2674 C1* C2* C3* C4* gd_34
2675 C1* C2* C3* O3* gd_17
2676 C4* C3* O3* +P gd_29
2678 [ DGUA ]
2679 [ atoms ]
2680 P P 0.99000 0
2681 O1P OM -0.63500 0
2682 O2P OM -0.63500 0
2683 O5* OA -0.36000 0
2684 C5* CH2 0.00000 1
2685 C4* CH1 0.16000 2
2686 O4* OA -0.36000 2
2687 C1* CH1 0.20000 2
2688 N9 NR -0.20000 3
2689 C4 C 0.20000 3
2690 N3 NR -0.54000 4
2691 C2 C 0.54000 4
2692 N2 NT -0.83000 5
2693 H21 H 0.41500 5
2694 H22 H 0.41500 5
2695 N1 NR -0.31000 6
2696 H1 H 0.31000 6
2697 C6 C 0.45000 7
2698 O6 O -0.45000 7
2699 C5 C 0.00000 8
2700 N7 NR -0.54000 8
2701 C8 C 0.44000 8
2702 H8 HC 0.10000 8
2703 C2* CH2r 0.00000 9
2704 C3* CH1 0.000 9
2705 O3* OA -0.360 10
2706 [ bonds ]
2707 P O1P gb_24
2708 P O2P gb_24
2709 P O5* gb_28
2710 O5* C5* gb_20
2711 C5* C4* gb_26
2712 C4* O4* gb_20
2713 C4* C3* gb_26
2714 O4* C1* gb_20
2715 C1* N9 gb_22
2716 C1* C2* gb_26
2717 N9 C4 gb_10
2718 N9 C8 gb_10
2719 C4 N3 gb_12
2720 C4 C5 gb_16
2721 N3 C2 gb_12
2722 C2 N2 gb_9
2723 C2 N1 gb_17
2724 N2 H21 gb_2
2725 N2 H22 gb_2
2726 N1 H1 gb_2
2727 N1 C6 gb_17
2728 C6 O6 gb_5
2729 C6 C5 gb_16
2730 C5 N7 gb_10
2731 N7 C8 gb_10
2732 C8 H8 gb_3
2733 C2* C3* gb_26
2734 C3* O3* gb_20
2735 O3* +P gb_28
2736 [ exclusions ]
2737 ; ai aj
2738 C1* N3
2739 C1* C5
2740 C1* N7
2741 C1* H8
2742 N9 C2
2743 N9 C6
2744 C4 N2
2745 C4 N1
2746 C4 O6
2747 C4 H8
2748 N3 H1
2749 N3 C6
2750 N3 N7
2751 N3 C8
2752 C2 O6
2753 C2 C5
2754 N2 H1
2755 N2 C6
2756 N1 N7
2757 H1 O6
2758 H1 C5
2759 C6 C8
2760 O6 N7
2761 C5 H8
2762 [ angles ]
2763 ; ai aj ak gromos type
2764 -O3* P O1P ga_14
2765 -O3* P O2P ga_14
2766 -O3* P O5* ga_5
2767 O1P P O2P ga_29
2768 O1P P O5* ga_14
2769 O2P P O5* ga_14
2770 P O5* C5* ga_26
2771 O5* C5* C4* ga_9
2772 C5* C4* O4* ga_9
2773 C5* C4* C3* ga_8
2774 O4* C4* C3* ga_9
2775 C4* O4* C1* ga_10
2776 O4* C1* N9 ga_9
2777 O4* C1* C2* ga_9
2778 N9 C1* C2* ga_9
2779 C1* N9 C4 ga_37
2780 C1* N9 C8 ga_37
2781 C4 N9 C8 ga_7
2782 N9 C4 N3 ga_39
2783 N9 C4 C5 ga_7
2784 N3 C4 C5 ga_27
2785 C4 N3 C2 ga_27
2786 N3 C2 N2 ga_27
2787 N3 C2 N1 ga_27
2788 N2 C2 N1 ga_27
2789 C2 N2 H21 ga_23
2790 C2 N2 H22 ga_23
2791 H21 N2 H22 ga_24
2792 C2 N1 H1 ga_25
2793 C2 N1 C6 ga_27
2794 H1 N1 C6 ga_25
2795 N1 C6 O6 ga_27
2796 N1 C6 C5 ga_27
2797 O6 C6 C5 ga_27
2798 C4 C5 C6 ga_27
2799 C4 C5 N7 ga_7
2800 C6 C5 N7 ga_39
2801 C5 N7 C8 ga_7
2802 N9 C8 N7 ga_7
2803 N9 C8 H8 ga_36
2804 N7 C8 H8 ga_36
2805 C1* C2* C3* ga_8
2806 C4* C3* C2* ga_8
2807 C4* C3* O3* ga_9
2808 C2* C3* O3* ga_9
2809 C3* O3* +P ga_26
2810 [ impropers ]
2811 ; ai aj ak al gromos type
2812 C1* C4 C8 N9 gi_1
2813 N9 C4 C5 N7 gi_1
2814 C4 N9 N3 C5 gi_1
2815 C4 N9 C8 N7 gi_1
2816 C4 N3 C2 N1 gi_1
2817 C4 C5 N7 C8 gi_1
2818 N3 C4 C5 C6 gi_1
2819 N3 C2 N1 C6 gi_1
2820 C2 N1 C6 C5 gi_1
2821 N2 N3 N1 C2 gi_1
2822 N2 H21 H22 C2 gi_1
2823 N1 C6 C5 C4 gi_1
2824 H1 C2 C6 N1 gi_1
2825 O6 N1 C5 C6 gi_1
2826 C5 C4 N3 C2 gi_1
2827 C5 C6 N7 C4 gi_1
2828 C5 N7 C8 N9 gi_1
2829 C8 N9 C4 C5 gi_1
2830 C8 N9 N7 H8 gi_1
2831 C2* O4* N9 C1* gi_2
2832 C3* C5* O4* C4* gi_2
2833 C3* C2* O3* C4* gi_2
2834 [ dihedrals ]
2835 ; ai aj ak al gromos type
2836 -C3* -O3* P O5* gd_20
2837 -C3* -O3* P O5* gd_27
2838 -O3* P O5* C5* gd_20
2839 -O3* P O5* C5* gd_27
2840 P O5* C5* C4* gd_7
2841 O5* C5* C4* O4* gd_8
2842 O5* C5* C4* O4* gd_25
2843 O5* C5* C4* C3* gd_17
2844 O5* C5* C4* C3* gd_34
2845 C3* C4* O4* C1* gd_29
2846 C5* C4* C3* C2* gd_34
2847 C5* C4* C3* O3* gd_17
2848 O4* C4* C3* C2* gd_17
2849 O4* C4* C3* O3* gd_18
2850 C4* O4* C1* C2* gd_29
2851 O4* C1* N9 C4 gd_16
2852 O4* C1* C2* C3* gd_17
2853 O4* C1* C2* C3* gd_34
2854 N3 C2 N2 H21 gd_14
2855 C1* C2* C3* C4* gd_34
2856 C1* C2* C3* O3* gd_17
2857 C4* C3* O3* +P gd_29
2859 [ DCYT ]
2860 [ atoms ]
2861 P P 0.99000 0
2862 O1P OM -0.63500 0
2863 O2P OM -0.63500 0
2864 O5* OA -0.36000 0
2865 C5* CH2 0.00000 1
2866 C4* CH1 0.16000 2
2867 O4* OA -0.36000 2
2868 C1* CH1 0.20000 2
2869 N1 NR -0.20000 3
2870 C6 C 0.10000 3
2871 H6 HC 0.10000 3
2872 C2 C 0.45000 4
2873 O2 O -0.45000 4
2874 N3 NR -0.54000 5
2875 C4 C 0.54000 5
2876 N4 NT -0.83000 6
2877 H41 H 0.41500 6
2878 H42 H 0.41500 6
2879 C5 C -0.10000 7
2880 H5 HC 0.10000 7
2881 C2* CH2r 0.00000 8
2882 C3* CH1 0.000 8
2883 O3* OA -0.360 9
2884 [ bonds ]
2885 P O1P gb_24
2886 P O2P gb_24
2887 P O5* gb_28
2888 O5* C5* gb_20
2889 C5* C4* gb_26
2890 C4* O4* gb_20
2891 C4* C3* gb_26
2892 O4* C1* gb_20
2893 C1* N1 gb_23
2894 C1* C2* gb_26
2895 N1 C6 gb_17
2896 N1 C2 gb_17
2897 C6 H6 gb_3
2898 C6 C5 gb_16
2899 C2 O2 gb_5
2900 C2 N3 gb_12
2901 N3 C4 gb_12
2902 C4 N4 gb_9
2903 C4 C5 gb_16
2904 N4 H41 gb_2
2905 N4 H42 gb_2
2906 C5 H5 gb_3
2907 C2* C3* gb_26
2908 C3* O3* gb_20
2909 O3* +P gb_28
2910 [ exclusions ]
2911 ; ai aj
2912 C1* H6
2913 C1* O2
2914 C1* N3
2915 C1* C5
2916 N1 C4
2917 N1 H5
2918 C6 O2
2919 C6 N3
2920 C6 N4
2921 H6 C2
2922 H6 C4
2923 H6 H5
2924 C2 N4
2925 C2 C5
2926 O2 C4
2927 N3 H5
2928 N4 H5
2929 [ angles ]
2930 ; ai aj ak gromos type
2931 -O3* P O1P ga_14
2932 -O3* P O2P ga_14
2933 -O3* P O5* ga_5
2934 O1P P O2P ga_29
2935 O1P P O5* ga_14
2936 O2P P O5* ga_14
2937 P O5* C5* ga_26
2938 O5* C5* C4* ga_9
2939 C5* C4* O4* ga_9
2940 C5* C4* C3* ga_8
2941 O4* C4* C3* ga_9
2942 C4* O4* C1* ga_10
2943 O4* C1* N1 ga_9
2944 O4* C1* C2* ga_9
2945 N1 C1* C2* ga_8
2946 C1* N1 C6 ga_27
2947 C1* N1 C2 ga_27
2948 C6 N1 C2 ga_27
2949 N1 C6 H6 ga_25
2950 N1 C6 C5 ga_27
2951 H6 C6 C5 ga_25
2952 N1 C2 O2 ga_27
2953 N1 C2 N3 ga_27
2954 O2 C2 N3 ga_27
2955 C2 N3 C4 ga_27
2956 N3 C4 N4 ga_27
2957 N3 C4 C5 ga_27
2958 N4 C4 C5 ga_27
2959 C4 N4 H41 ga_23
2960 C4 N4 H42 ga_23
2961 H41 N4 H42 ga_24
2962 C6 C5 C4 ga_27
2963 C6 C5 H5 ga_25
2964 C4 C5 H5 ga_25
2965 C1* C2* C3* ga_8
2966 C4* C3* C2* ga_8
2967 C4* C3* O3* ga_9
2968 C2* C3* O3* ga_9
2969 C3* O3* +P ga_26
2970 [ impropers ]
2971 ; ai aj ak al gromos type
2972 N1 C6 C2 C1* gi_1
2973 N1 C6 C5 C4 gi_1
2974 N1 C2 N3 C4 gi_1
2975 C6 N1 C2 N3 gi_1
2976 C6 N1 C5 H6 gi_1
2977 C2 N1 C6 C5 gi_1
2978 C2 N3 C4 C5 gi_1
2979 O2 N1 N3 C2 gi_1
2980 N3 C4 C5 C6 gi_1
2981 N4 N3 C5 C4 gi_1
2982 N4 H41 H42 C4 gi_1
2983 C5 C6 C4 H5 gi_1
2984 C2* O4* N1 C1* gi_2
2985 C3* C5* O4* C4* gi_2
2986 C3* C2* O3* C4* gi_2
2987 [ dihedrals ]
2988 ; ai aj ak al gromos type
2989 -C3* -O3* P O5* gd_20
2990 -C3* -O3* P O5* gd_27
2991 -O3* P O5* C5* gd_20
2992 -O3* P O5* C5* gd_27
2993 P O5* C5* C4* gd_7
2994 O5* C5* C4* O4* gd_8
2995 O5* C5* C4* O4* gd_25
2996 O5* C5* C4* C3* gd_17
2997 O5* C5* C4* C3* gd_34
2998 C3* C4* O4* C1* gd_29
2999 C5* C4* C3* C2* gd_34
3000 C5* C4* C3* O3* gd_17
3001 O4* C4* C3* C2* gd_17
3002 O4* C4* C3* O3* gd_18
3003 C4* O4* C1* C2* gd_29
3004 O4* C1* N1 C2 gd_16
3005 O4* C1* C2* C3* gd_17
3006 O4* C1* C2* C3* gd_34
3007 N3 C4 N4 H41 gd_14
3008 C1* C2* C3* C4* gd_34
3009 C1* C2* C3* O3* gd_17
3010 C4* C3* O3* +P gd_29
3012 [ DTHY ]
3013 [ atoms ]
3014 P P 0.99000 0
3015 O1P OM -0.63500 0
3016 O2P OM -0.63500 0
3017 O5* OA -0.36000 0
3018 C5* CH2 0.00000 1
3019 C4* CH1 0.16000 2
3020 O4* OA -0.36000 2
3021 C1* CH1 0.20000 2
3022 N1 NR -0.20000 3
3023 C6 C 0.10000 3
3024 H6 HC 0.10000 3
3025 C2 C 0.45000 4
3026 O2 O -0.45000 4
3027 N3 NR -0.31000 5
3028 H3 H 0.31000 5
3029 C4 C 0.45000 6
3030 O4 O -0.45000 6
3031 C5 C 0.00000 7
3032 C5M CH3 0.00000 7
3033 C2* CH2r 0.00000 8
3034 C3* CH1 0.000 8
3035 O3* OA -0.360 9
3036 [ bonds ]
3037 P O1P gb_24
3038 P O2P gb_24
3039 P O5* gb_28
3040 O5* C5* gb_20
3041 C5* C4* gb_26
3042 C4* O4* gb_20
3043 C4* C3* gb_26
3044 O4* C1* gb_20
3045 C1* N1 gb_23
3046 C1* C2* gb_26
3047 N1 C6 gb_17
3048 N1 C2 gb_17
3049 C6 H6 gb_3
3050 C6 C5 gb_16
3051 C2 O2 gb_5
3052 C2 N3 gb_17
3053 N3 H3 gb_2
3054 N3 C4 gb_17
3055 C4 O4 gb_5
3056 C4 C5 gb_16
3057 C5 C5M gb_27
3058 C2* C3* gb_26
3059 C3* O3* gb_20
3060 O3* +P gb_28
3061 [ exclusions ]
3062 ; ai aj
3063 C1* H6
3064 C1* O2
3065 C1* N3
3066 C1* C5
3067 N1 H3
3068 N1 C4
3069 N1 C5M
3070 C6 O2
3071 C6 N3
3072 C6 O4
3073 H6 C2
3074 H6 C4
3075 H6 C5M
3076 C2 O4
3077 C2 C5
3078 O2 H3
3079 O2 C4
3080 N3 C5M
3081 H3 O4
3082 H3 C5
3083 O4 C5M
3084 [ angles ]
3085 ; ai aj ak gromos type
3086 -O3* P O1P ga_14
3087 -O3* P O2P ga_14
3088 -O3* P O5* ga_5
3089 O1P P O2P ga_29
3090 O1P P O5* ga_14
3091 O2P P O5* ga_14
3092 P O5* C5* ga_26
3093 O5* C5* C4* ga_9
3094 C5* C4* O4* ga_9
3095 C5* C4* C3* ga_8
3096 O4* C4* C3* ga_9
3097 C4* O4* C1* ga_10
3098 O4* C1* N1 ga_9
3099 O4* C1* C2* ga_9
3100 N1 C1* C2* ga_8
3101 C1* N1 C6 ga_27
3102 C1* N1 C2 ga_27
3103 C6 N1 C2 ga_27
3104 N1 C6 H6 ga_25
3105 N1 C6 C5 ga_27
3106 H6 C6 C5 ga_25
3107 N1 C2 O2 ga_27
3108 N1 C2 N3 ga_27
3109 O2 C2 N3 ga_27
3110 C2 N3 H3 ga_25
3111 C2 N3 C4 ga_27
3112 H3 N3 C4 ga_25
3113 N3 C4 O4 ga_27
3114 N3 C4 C5 ga_27
3115 O4 C4 C5 ga_27
3116 C6 C5 C4 ga_27
3117 C6 C5 C5M ga_27
3118 C4 C5 C5M ga_27
3119 C1* C2* C3* ga_8
3120 C4* C3* C2* ga_8
3121 C4* C3* O3* ga_9
3122 C2* C3* O3* ga_9
3123 C3* O3* +P ga_26
3124 [ impropers ]
3125 ; ai aj ak al gromos type
3126 N1 C6 C2 C1* gi_1
3127 N1 C6 C5 C4 gi_1
3128 N1 C2 N3 C4 gi_1
3129 C6 N1 C2 N3 gi_1
3130 C6 N1 C5 H6 gi_1
3131 C2 N1 C6 C5 gi_1
3132 C2 N3 C4 C5 gi_1
3133 O2 N1 N3 C2 gi_1
3134 N3 C4 C5 C6 gi_1
3135 H3 C2 C4 N3 gi_1
3136 O4 N3 C5 C4 gi_1
3137 C5 C6 C4 C5M gi_1
3138 C2* O4* N1 C1* gi_2
3139 C3* C5* O4* C4* gi_2
3140 C3* C2* O3* C4* gi_2
3141 [ dihedrals ]
3142 ; ai aj ak al gromos type
3143 -C3* -O3* P O5* gd_20
3144 -C3* -O3* P O5* gd_27
3145 -O3* P O5* C5* gd_20
3146 -O3* P O5* C5* gd_27
3147 P O5* C5* C4* gd_7
3148 O5* C5* C4* O4* gd_8
3149 O5* C5* C4* O4* gd_25
3150 O5* C5* C4* C3* gd_17
3151 O5* C5* C4* C3* gd_34
3152 C3* C4* O4* C1* gd_29
3153 C5* C4* C3* C2* gd_34
3154 C5* C4* C3* O3* gd_17
3155 O4* C4* C3* C2* gd_17
3156 O4* C4* C3* O3* gd_18
3157 C4* O4* C1* C2* gd_29
3158 O4* C1* N1 C2 gd_16
3159 O4* C1* C2* C3* gd_17
3160 O4* C1* C2* C3* gd_34
3161 C1* C2* C3* C4* gd_34
3162 C1* C2* C3* O3* gd_17
3163 C4* C3* O3* +P gd_29
3165 [ ADE ]
3166 [ atoms ]
3167 P P 0.99000 0
3168 O1P OM -0.63500 0
3169 O2P OM -0.63500 0
3170 O5* OA -0.36000 0
3171 C5* CH2 0.00000 1
3172 C4* CH1 0.16000 2
3173 O4* OA -0.36000 2
3174 C1* CH1 0.20000 2
3175 N9 NR -0.20000 3
3176 C4 C 0.20000 3
3177 N3 NR -0.54000 4
3178 C2 C 0.44000 4
3179 H2 HC 0.10000 4
3180 N1 NR -0.54000 5
3181 C6 C 0.54000 5
3182 N6 NT -0.83000 6
3183 H61 H 0.41500 6
3184 H62 H 0.41500 6
3185 C5 C 0.00000 7
3186 N7 NR -0.54000 7
3187 C8 C 0.44000 7
3188 H8 HC 0.10000 7
3189 C2* CH1 0.15000 8
3190 O2* OA -0.54800 8
3191 H2* H 0.39800 8
3192 C3* CH1 0.000 9
3193 O3* OA -0.360 10
3194 [ bonds ]
3195 P O1P gb_24
3196 P O2P gb_24
3197 P O5* gb_28
3198 O5* C5* gb_20
3199 C5* C4* gb_26
3200 C4* O4* gb_20
3201 C4* C3* gb_26
3202 O4* C1* gb_20
3203 C1* N9 gb_22
3204 C1* C2* gb_26
3205 N9 C4 gb_10
3206 N9 C8 gb_10
3207 C4 N3 gb_12
3208 C4 C5 gb_16
3209 N3 C2 gb_7
3210 C2 H2 gb_3
3211 C2 N1 gb_7
3212 N1 C6 gb_12
3213 C6 N6 gb_9
3214 C6 C5 gb_16
3215 N6 H61 gb_2
3216 N6 H62 gb_2
3217 C5 N7 gb_10
3218 N7 C8 gb_10
3219 C8 H8 gb_3
3220 C2* O2* gb_20
3221 C2* C3* gb_26
3222 O2* H2* gb_1
3223 C3* O3* gb_20
3224 O3* +P gb_28
3225 [ exclusions ]
3226 ; ai aj
3227 C1* N3
3228 C1* C5
3229 C1* N7
3230 C1* H8
3231 N9 C2
3232 N9 C6
3233 C4 H2
3234 C4 N1
3235 C4 N6
3236 C4 H8
3237 N3 C6
3238 N3 N7
3239 N3 C8
3240 C2 N6
3241 C2 C5
3242 H2 C6
3243 N1 N7
3244 C6 C8
3245 N6 N7
3246 H61 N7
3247 H62 N7
3248 C5 H8
3249 [ angles ]
3250 ; ai aj ak gromos type
3251 -O3* P O1P ga_14
3252 -O3* P O2P ga_14
3253 -O3* P O5* ga_5
3254 O1P P O2P ga_29
3255 O1P P O5* ga_14
3256 O2P P O5* ga_14
3257 P O5* C5* ga_26
3258 O5* C5* C4* ga_9
3259 C5* C4* O4* ga_9
3260 C5* C4* C3* ga_8
3261 O4* C4* C3* ga_9
3262 C4* O4* C1* ga_10
3263 O4* C1* N9 ga_9
3264 O4* C1* C2* ga_9
3265 N9 C1* C2* ga_9
3266 C1* N9 C4 ga_37
3267 C1* N9 C8 ga_37
3268 C4 N9 C8 ga_7
3269 N9 C4 N3 ga_39
3270 N9 C4 C5 ga_7
3271 N3 C4 C5 ga_27
3272 C4 N3 C2 ga_27
3273 N3 C2 H2 ga_25
3274 N3 C2 N1 ga_27
3275 H2 C2 N1 ga_25
3276 C2 N1 C6 ga_27
3277 N1 C6 N6 ga_27
3278 N1 C6 C5 ga_27
3279 N6 C6 C5 ga_27
3280 C6 N6 H61 ga_23
3281 C6 N6 H62 ga_23
3282 H61 N6 H62 ga_24
3283 C4 C5 C6 ga_27
3284 C4 C5 N7 ga_7
3285 C6 C5 N7 ga_39
3286 C5 N7 C8 ga_7
3287 N9 C8 N7 ga_7
3288 N9 C8 H8 ga_36
3289 N7 C8 H8 ga_36
3290 C1* C2* O2* ga_9
3291 C1* C2* C3* ga_8
3292 O2* C2* C3* ga_9
3293 C2* O2* H2* ga_12
3294 C4* C3* C2* ga_8
3295 C4* C3* O3* ga_9
3296 C2* C3* O3* ga_9
3297 C3* O3* +P ga_26
3298 [ impropers ]
3299 ; ai aj ak al gromos type
3300 C1* C4 C8 N9 gi_1
3301 N9 C4 C5 N7 gi_1
3302 C4 N9 N3 C5 gi_1
3303 C4 N9 C8 N7 gi_1
3304 C4 N3 C2 N1 gi_1
3305 C4 C5 N7 C8 gi_1
3306 N3 C4 C5 C6 gi_1
3307 N3 C2 N1 C6 gi_1
3308 C2 N3 H2 N1 gi_1
3309 C2 N1 C6 C5 gi_1
3310 N1 C6 C5 C4 gi_1
3311 N6 N1 C5 C6 gi_1
3312 N6 H61 H62 C6 gi_1
3313 C5 C4 N3 C2 gi_1
3314 C5 C6 N7 C4 gi_1
3315 C5 N7 C8 N9 gi_1
3316 C8 N9 C4 C5 gi_1
3317 C8 N9 N7 H8 gi_1
3318 C2* O4* N9 C1* gi_2
3319 C2* O2* C3* C1* gi_2
3320 C3* C5* O4* C4* gi_2
3321 C3* C2* O3* C4* gi_2
3322 [ dihedrals ]
3323 ; ai aj ak al gromos type
3324 -C3* -O3* P O5* gd_20
3325 -C3* -O3* P O5* gd_27
3326 -O3* P O5* C5* gd_20
3327 -O3* P O5* C5* gd_27
3328 P O5* C5* C4* gd_7
3329 O5* C5* C4* O4* gd_8
3330 O5* C5* C4* O4* gd_25
3331 O5* C5* C4* C3* gd_17
3332 O5* C5* C4* C3* gd_34
3333 C3* C4* O4* C1* gd_29
3334 C5* C4* C3* C2* gd_34
3335 C5* C4* C3* O3* gd_17
3336 O4* C4* C3* C2* gd_17
3337 O4* C4* C3* O3* gd_18
3338 C4* O4* C1* C2* gd_29
3339 O4* C1* N9 C4 gd_16
3340 O4* C1* C2* O2* gd_18
3341 O4* C1* C2* C3* gd_17
3342 O4* C1* C2* C3* gd_34
3343 N9 C1* C2* O2* gd_17
3344 C5 C6 N6 H61 gd_14
3345 C1* C2* O2* H2* gd_23
3346 C1* C2* C3* C4* gd_34
3347 C1* C2* C3* O3* gd_17
3348 O2* C2* C3* C4* gd_17
3349 O2* C2* C3* O3* gd_18
3350 C4* C3* O3* +P gd_29
3352 [ GUA ]
3353 [ atoms ]
3354 P P 0.99000 0
3355 O1P OM -0.63500 0
3356 O2P OM -0.63500 0
3357 O5* OA -0.36000 0
3358 C5* CH2 0.00000 1
3359 C4* CH1 0.16000 2
3360 O4* OA -0.36000 2
3361 C1* CH1 0.20000 2
3362 N9 NR -0.20000 3
3363 C4 C 0.20000 3
3364 N3 NR -0.54000 4
3365 C2 C 0.54000 4
3366 N2 NT -0.83000 5
3367 H21 H 0.41500 5
3368 H22 H 0.41500 5
3369 N1 NR -0.31000 6
3370 H1 H 0.31000 6
3371 C6 C 0.45000 7
3372 O6 O -0.45000 7
3373 C5 C 0.00000 8
3374 N7 NR -0.54000 8
3375 C8 C 0.44000 8
3376 H8 HC 0.10000 8
3377 C2* CH1 0.15000 9
3378 O2* OA -0.54800 9
3379 H2* H 0.39800 9
3380 C3* CH1 0.000 10
3381 O3* OA -0.360 11
3382 [ bonds ]
3383 P O1P gb_24
3384 P O2P gb_24
3385 P O5* gb_28
3386 O5* C5* gb_20
3387 C5* C4* gb_26
3388 C4* O4* gb_20
3389 C4* C3* gb_26
3390 O4* C1* gb_20
3391 C1* N9 gb_22
3392 C1* C2* gb_26
3393 N9 C4 gb_10
3394 N9 C8 gb_10
3395 C4 N3 gb_12
3396 C4 C5 gb_16
3397 N3 C2 gb_12
3398 C2 N2 gb_9
3399 C2 N1 gb_17
3400 N2 H21 gb_2
3401 N2 H22 gb_2
3402 N1 H1 gb_2
3403 N1 C6 gb_17
3404 C6 O6 gb_5
3405 C6 C5 gb_16
3406 C5 N7 gb_10
3407 N7 C8 gb_10
3408 C8 H8 gb_3
3409 C2* O2* gb_20
3410 C2* C3* gb_26
3411 O2* H2* gb_1
3412 C3* O3* gb_20
3413 O3* +P gb_28
3414 [ exclusions ]
3415 ; ai aj
3416 C1* N3
3417 C1* C5
3418 C1* N7
3419 C1* H8
3420 N9 C2
3421 N9 C6
3422 C4 N2
3423 C4 N1
3424 C4 O6
3425 C4 H8
3426 N3 H1
3427 N3 C6
3428 N3 N7
3429 N3 C8
3430 C2 O6
3431 C2 C5
3432 N2 H1
3433 N2 C6
3434 N1 N7
3435 H1 O6
3436 H1 C5
3437 C6 C8
3438 O6 N7
3439 C5 H8
3440 [ angles ]
3441 ; ai aj ak gromos type
3442 -O3* P O1P ga_14
3443 -O3* P O2P ga_14
3444 -O3* P O5* ga_5
3445 O1P P O2P ga_29
3446 O1P P O5* ga_14
3447 O2P P O5* ga_14
3448 P O5* C5* ga_26
3449 O5* C5* C4* ga_9
3450 C5* C4* O4* ga_9
3451 C5* C4* C3* ga_8
3452 O4* C4* C3* ga_9
3453 C4* O4* C1* ga_10
3454 O4* C1* N9 ga_9
3455 O4* C1* C2* ga_9
3456 N9 C1* C2* ga_9
3457 C1* N9 C4 ga_37
3458 C1* N9 C8 ga_37
3459 C4 N9 C8 ga_7
3460 N9 C4 N3 ga_39
3461 N9 C4 C5 ga_7
3462 N3 C4 C5 ga_27
3463 C4 N3 C2 ga_27
3464 N3 C2 N2 ga_27
3465 N3 C2 N1 ga_27
3466 N2 C2 N1 ga_27
3467 C2 N2 H21 ga_23
3468 C2 N2 H22 ga_23
3469 H21 N2 H22 ga_24
3470 C2 N1 H1 ga_25
3471 C2 N1 C6 ga_27
3472 H1 N1 C6 ga_25
3473 N1 C6 O6 ga_27
3474 N1 C6 C5 ga_27
3475 O6 C6 C5 ga_27
3476 C4 C5 C6 ga_27
3477 C4 C5 N7 ga_7
3478 C6 C5 N7 ga_39
3479 C5 N7 C8 ga_7
3480 N9 C8 N7 ga_7
3481 N9 C8 H8 ga_36
3482 N7 C8 H8 ga_36
3483 C1* C2* O2* ga_9
3484 C1* C2* C3* ga_8
3485 O2* C2* C3* ga_9
3486 C2* O2* H2* ga_12
3487 C4* C3* C2* ga_8
3488 C4* C3* O3* ga_9
3489 C2* C3* O3* ga_9
3490 C3* O3* +P ga_26
3491 [ impropers ]
3492 ; ai aj ak al gromos type
3493 C1* C4 C8 N9 gi_1
3494 N9 C4 C5 N7 gi_1
3495 C4 N9 N3 C5 gi_1
3496 C4 N9 C8 N7 gi_1
3497 C4 N3 C2 N1 gi_1
3498 C4 C5 N7 C8 gi_1
3499 N3 C4 C5 C6 gi_1
3500 N3 C2 N1 C6 gi_1
3501 C2 N1 C6 C5 gi_1
3502 N2 N3 N1 C2 gi_1
3503 N2 H21 H22 C2 gi_1
3504 N1 C6 C5 C4 gi_1
3505 H1 C2 C6 N1 gi_1
3506 O6 N1 C5 C6 gi_1
3507 C5 C4 N3 C2 gi_1
3508 C5 C6 N7 C4 gi_1
3509 C5 N7 C8 N9 gi_1
3510 C8 N9 C4 C5 gi_1
3511 C8 N9 N7 H8 gi_1
3512 C2* O4* N9 C1* gi_2
3513 C2* O2* C3* C1* gi_2
3514 C3* C5* O4* C4* gi_2
3515 C3* C2* O3* C4* gi_2
3516 [ dihedrals ]
3517 ; ai aj ak al gromos type
3518 -C3* -O3* P O5* gd_20
3519 -C3* -O3* P O5* gd_27
3520 -O3* P O5* C5* gd_20
3521 -O3* P O5* C5* gd_27
3522 P O5* C5* C4* gd_7
3523 O5* C5* C4* O4* gd_8
3524 O5* C5* C4* O4* gd_25
3525 O5* C5* C4* C3* gd_17
3526 O5* C5* C4* C3* gd_34
3527 C3* C4* O4* C1* gd_29
3528 C5* C4* C3* C2* gd_34
3529 C5* C4* C3* O3* gd_17
3530 O4* C4* C3* C2* gd_17
3531 O4* C4* C3* O3* gd_18
3532 C4* O4* C1* C2* gd_29
3533 O4* C1* N9 C4 gd_16
3534 O4* C1* C2* O2* gd_18
3535 O4* C1* C2* C3* gd_17
3536 O4* C1* C2* C3* gd_34
3537 N9 C1* C2* O2* gd_17
3538 N3 C2 N2 H21 gd_14
3539 C1* C2* O2* H2* gd_23
3540 C1* C2* C3* C4* gd_34
3541 C1* C2* C3* O3* gd_17
3542 O2* C2* C3* C4* gd_17
3543 O2* C2* C3* O3* gd_18
3544 C4* C3* O3* +P gd_29
3546 [ CYT ]
3547 [ atoms ]
3548 P P 0.99000 0
3549 O1P OM -0.63500 0
3550 O2P OM -0.63500 0
3551 O5* OA -0.36000 0
3552 C5* CH2 0.00000 1
3553 C4* CH1 0.16000 2
3554 O4* OA -0.36000 2
3555 C1* CH1 0.20000 2
3556 N1 NR -0.20000 3
3557 C6 C 0.10000 3
3558 H6 HC 0.10000 3
3559 C2 C 0.45000 4
3560 O2 O -0.45000 4
3561 N3 NR -0.54000 5
3562 C4 C 0.54000 5
3563 N4 NT -0.83000 6
3564 H41 H 0.41500 6
3565 H42 H 0.41500 6
3566 C5 C -0.10000 7
3567 H5 HC 0.10000 7
3568 C2* CH1 0.15000 8
3569 O2* OA -0.54800 8
3570 H2* H 0.39800 8
3571 C3* CH1 0.000 9
3572 O3* OA -0.360 10
3573 [ bonds ]
3574 P O1P gb_24
3575 P O2P gb_24
3576 P O5* gb_28
3577 O5* C5* gb_20
3578 C5* C4* gb_26
3579 C4* O4* gb_20
3580 C4* C3* gb_26
3581 O4* C1* gb_20
3582 C1* N1 gb_23
3583 C1* C2* gb_26
3584 N1 C6 gb_17
3585 N1 C2 gb_17
3586 C6 H6 gb_3
3587 C6 C5 gb_16
3588 C2 O2 gb_5
3589 C2 N3 gb_12
3590 N3 C4 gb_12
3591 C4 N4 gb_9
3592 C4 C5 gb_16
3593 N4 H41 gb_2
3594 N4 H42 gb_2
3595 C5 H5 gb_3
3596 C2* O2* gb_20
3597 C2* C3* gb_26
3598 O2* H2* gb_1
3599 C3* O3* gb_20
3600 O3* +P gb_28
3601 [ exclusions ]
3602 ; ai aj
3603 C1* H6
3604 C1* O2
3605 C1* N3
3606 C1* C5
3607 N1 C4
3608 N1 H5
3609 C6 O2
3610 C6 N3
3611 C6 N4
3612 H6 C2
3613 H6 C4
3614 H6 H5
3615 C2 N4
3616 C2 C5
3617 O2 C4
3618 N3 H5
3619 N4 H5
3620 [ angles ]
3621 ; ai aj ak gromos type
3622 -O3* P O1P ga_14
3623 -O3* P O2P ga_14
3624 -O3* P O5* ga_5
3625 O1P P O2P ga_29
3626 O1P P O5* ga_14
3627 O2P P O5* ga_14
3628 P O5* C5* ga_26
3629 O5* C5* C4* ga_9
3630 C5* C4* O4* ga_9
3631 C5* C4* C3* ga_8
3632 O4* C4* C3* ga_9
3633 C4* O4* C1* ga_10
3634 O4* C1* N1 ga_9
3635 O4* C1* C2* ga_9
3636 N1 C1* C2* ga_8
3637 C1* N1 C6 ga_27
3638 C1* N1 C2 ga_27
3639 C6 N1 C2 ga_27
3640 N1 C6 H6 ga_25
3641 N1 C6 C5 ga_27
3642 H6 C6 C5 ga_25
3643 N1 C2 O2 ga_27
3644 N1 C2 N3 ga_27
3645 O2 C2 N3 ga_27
3646 C2 N3 C4 ga_27
3647 N3 C4 N4 ga_27
3648 N3 C4 C5 ga_27
3649 N4 C4 C5 ga_27
3650 C4 N4 H41 ga_23
3651 C4 N4 H42 ga_23
3652 H41 N4 H42 ga_24
3653 C6 C5 C4 ga_27
3654 C6 C5 H5 ga_25
3655 C4 C5 H5 ga_25
3656 C1* C2* O2* ga_9
3657 C1* C2* C3* ga_8
3658 O2* C2* C3* ga_9
3659 C2* O2* H2* ga_12
3660 C4* C3* C2* ga_8
3661 C4* C3* O3* ga_9
3662 C2* C3* O3* ga_9
3663 C3* O3* +P ga_26
3664 [ impropers ]
3665 ; ai aj ak al gromos type
3666 N1 C6 C2 C1* gi_1
3667 N1 C6 C5 C4 gi_1
3668 N1 C2 N3 C4 gi_1
3669 C6 N1 C2 N3 gi_1
3670 C6 N1 C5 H6 gi_1
3671 C2 N1 C6 C5 gi_1
3672 C2 N3 C4 C5 gi_1
3673 O2 N1 N3 C2 gi_1
3674 N3 C4 C5 C6 gi_1
3675 N4 N3 C5 C4 gi_1
3676 N4 H41 H42 C4 gi_1
3677 C5 C6 C4 H5 gi_1
3678 C2* O4* N1 C1* gi_2
3679 C2* O2* C3* C1* gi_2
3680 C3* C5* O4* C4* gi_2
3681 C3* C2* O3* C4* gi_2
3682 [ dihedrals ]
3683 ; ai aj ak al gromos type
3684 -C3* -O3* P O5* gd_20
3685 -C3* -O3* P O5* gd_27
3686 -O3* P O5* C5* gd_20
3687 -O3* P O5* C5* gd_27
3688 P O5* C5* C4* gd_7
3689 O5* C5* C4* O4* gd_8
3690 O5* C5* C4* O4* gd_25
3691 O5* C5* C4* C3* gd_17
3692 O5* C5* C4* C3* gd_34
3693 C3* C4* O4* C1* gd_29
3694 C5* C4* C3* C2* gd_34
3695 C5* C4* C3* O3* gd_17
3696 O4* C4* C3* C2* gd_17
3697 O4* C4* C3* O3* gd_18
3698 C4* O4* C1* C2* gd_29
3699 O4* C1* N1 C2 gd_16
3700 O4* C1* C2* O2* gd_18
3701 O4* C1* C2* C3* gd_17
3702 O4* C1* C2* C3* gd_34
3703 N1 C1* C2* O2* gd_17
3704 N3 C4 N4 H41 gd_14
3705 C1* C2* O2* H2* gd_23
3706 C1* C2* C3* C4* gd_34
3707 C1* C2* C3* O3* gd_17
3708 O2* C2* C3* C4* gd_17
3709 O2* C2* C3* O3* gd_18
3710 C4* C3* O3* +P gd_29
3712 [ URA ]
3713 [ atoms ]
3714 P P 0.99000 0
3715 O1P OM -0.63500 0
3716 O2P OM -0.63500 0
3717 O5* OA -0.36000 0
3718 C5* CH2 0.00000 1
3719 C4* CH1 0.16000 2
3720 O4* OA -0.36000 2
3721 C1* CH1 0.20000 2
3722 N1 NR -0.20000 3
3723 C6 C 0.10000 3
3724 H6 HC 0.10000 3
3725 C2 C 0.45000 4
3726 O2 O -0.45000 4
3727 N3 NR -0.31000 5
3728 H3 H 0.31000 5
3729 C4 C 0.45000 6
3730 O4 O -0.45000 6
3731 C5 C -0.10000 7
3732 H5 HC 0.10000 7
3733 C2* CH1 0.15000 8
3734 O2* OA -0.54800 8
3735 H2* H 0.39800 8
3736 C3* CH1 0.000 9
3737 O3* OA -0.360 10
3738 [ bonds ]
3739 P O1P gb_24
3740 P O2P gb_24
3741 P O5* gb_28
3742 O5* C5* gb_20
3743 C5* C4* gb_26
3744 C4* O4* gb_20
3745 C4* C3* gb_26
3746 O4* C1* gb_20
3747 C1* N1 gb_23
3748 C1* C2* gb_26
3749 N1 C6 gb_17
3750 N1 C2 gb_17
3751 C6 H6 gb_3
3752 C6 C5 gb_16
3753 C2 O2 gb_5
3754 C2 N3 gb_17
3755 N3 H3 gb_2
3756 N3 C4 gb_17
3757 C4 O4 gb_5
3758 C4 C5 gb_16
3759 C5 H5 gb_3
3760 C2* O2* gb_20
3761 C2* C3* gb_26
3762 O2* H2* gb_1
3763 C3* O3* gb_20
3764 O3* +P gb_28
3765 [ exclusions ]
3766 ; ai aj
3767 C1* H6
3768 C1* O2
3769 C1* N3
3770 C1* C5
3771 N1 H3
3772 N1 C4
3773 N1 H5
3774 C6 O2
3775 C6 N3
3776 C6 O4
3777 H6 C2
3778 H6 C4
3779 H6 H5
3780 C2 O4
3781 C2 C5
3782 O2 H3
3783 O2 C4
3784 N3 H5
3785 H3 O4
3786 H3 C5
3787 O4 H5
3788 H5 -O3*
3789 O2* O3*
3790 [ angles ]
3791 ; ai aj ak gromos type
3792 -O3* P O1P ga_14
3793 -O3* P O2P ga_14
3794 -O3* P O5* ga_5
3795 O1P P O2P ga_29
3796 O1P P O5* ga_14
3797 O2P P O5* ga_14
3798 P O5* C5* ga_26
3799 O5* C5* C4* ga_9
3800 C5* C4* O4* ga_9
3801 C5* C4* C3* ga_8
3802 O4* C4* C3* ga_9
3803 C4* O4* C1* ga_10
3804 O4* C1* N1 ga_9
3805 O4* C1* C2* ga_9
3806 N1 C1* C2* ga_8
3807 C1* N1 C6 ga_27
3808 C1* N1 C2 ga_27
3809 C6 N1 C2 ga_27
3810 N1 C6 H6 ga_25
3811 N1 C6 C5 ga_27
3812 H6 C6 C5 ga_25
3813 N1 C2 O2 ga_27
3814 N1 C2 N3 ga_27
3815 O2 C2 N3 ga_27
3816 C2 N3 H3 ga_25
3817 C2 N3 C4 ga_27
3818 H3 N3 C4 ga_25
3819 N3 C4 O4 ga_27
3820 N3 C4 C5 ga_27
3821 O4 C4 C5 ga_27
3822 C6 C5 C4 ga_27
3823 C6 C5 H5 ga_25
3824 C4 C5 H5 ga_25
3825 C1* C2* O2* ga_9
3826 C1* C2* C3* ga_8
3827 O2* C2* C3* ga_9
3828 C2* O2* H2* ga_12
3829 C4* C3* C2* ga_8
3830 C4* C3* O3* ga_9
3831 C2* C3* O3* ga_9
3832 C3* O3* +P ga_26
3833 [ impropers ]
3834 ; ai aj ak al gromos type
3835 N1 C6 C2 C1* gi_1
3836 N1 C6 C5 C4 gi_1
3837 N1 C2 N3 C4 gi_1
3838 C6 N1 C2 N3 gi_1
3839 C6 N1 C5 H6 gi_1
3840 C2 N1 C6 C5 gi_1
3841 C2 N3 C4 C5 gi_1
3842 O2 N1 N3 C2 gi_1
3843 N3 C4 C5 C6 gi_1
3844 H3 C2 C4 N3 gi_1
3845 O4 N3 C5 C4 gi_1
3846 C5 C6 C4 H5 gi_1
3847 C2* O4* N1 C1* gi_2
3848 C2* O2* C3* C1* gi_2
3849 C3* C5* O4* C4* gi_2
3850 C3* C2* O3* C4* gi_2
3851 [ dihedrals ]
3852 ; ai aj ak al gromos type
3853 -C3* -O3* P O5* gd_20
3854 -C3* -O3* P O5* gd_27
3855 -O3* P O5* C5* gd_20
3856 -O3* P O5* C5* gd_27
3857 P O5* C5* C4* gd_7
3858 O5* C5* C4* O4* gd_8
3859 O5* C5* C4* O4* gd_25
3860 O5* C5* C4* C3* gd_17
3861 O5* C5* C4* C3* gd_34
3862 C3* C4* O4* C1* gd_29
3863 C5* C4* C3* C2* gd_34
3864 C5* C4* C3* O3* gd_17
3865 O4* C4* C3* C2* gd_17
3866 O4* C4* C3* O3* gd_18
3867 C4* O4* C1* C2* gd_29
3868 O4* C1* N1 C2 gd_16
3869 O4* C1* C2* O2* gd_18
3870 O4* C1* C2* C3* gd_17
3871 O4* C1* C2* C3* gd_34
3872 N1 C1* C2* O2* gd_17
3873 C1* C2* O2* H2* gd_23
3874 C1* C2* C3* C4* gd_34
3875 C1* C2* C3* O3* gd_17
3876 O2* C2* C3* C4* gd_17
3877 O2* C2* C3* O3* gd_18
3878 C4* C3* O3* +P gd_29
3880 [ FMNO ]
3881 [ atoms ]
3882 FC9A C 0.20000 0
3883 FN10 NR -0.20000 0
3884 FC10A C 0.36000 1
3885 FN1 NR -0.36000 1
3886 FC2 C 0.38000 2
3887 FO2 O -0.38000 2
3888 FN3 NR -0.28000 3
3889 FH3 H 0.28000 3
3890 FC4 C 0.38000 4
3891 FO4 O -0.38000 4
3892 FC4A C 0.18000 5
3893 FN5 NR -0.28000 5
3894 FC5A C 0.10000 5
3895 FC6 CR1 0.00000 6
3896 FC7 C 0.00000 7
3897 FCM7 CH3 0.00000 7
3898 FC8 C 0.00000 8
3899 FCM8 CH3 0.00000 8
3900 FC9 CR1 0.00000 9
3901 FCA CH2 0.00000 10
3902 FCB CH1 0.15000 11
3903 FOB OA -0.54800 11
3904 FHB H 0.39800 11
3905 FCG CH1 0.15000 12
3906 FOG OA -0.54800 12
3907 FHG H 0.39800 12
3908 FCD CH1 0.15000 13
3909 FOD OA -0.54800 13
3910 FHD H 0.39800 13
3911 FCE CH2 0.15000 14
3912 FOZ OA -0.36000 14
3913 FPH P 0.63000 14
3914 FOH OA -0.54800 14
3915 FHH H 0.39800 14
3916 FOT1 OM -0.63500 14
3917 FOT2 OM -0.63500 14
3918 [ bonds ]
3919 FC9A FN10 gb_17
3920 FC9A FC5A gb_16
3921 FC9A FC9 gb_16
3922 FN10 FC10A gb_17
3923 FN10 FCA gb_23
3924 FC10A FN1 gb_12
3925 FC10A FC4A gb_16
3926 FN1 FC2 gb_12
3927 FC2 FO2 gb_5
3928 FC2 FN3 gb_17
3929 FN3 FH3 gb_2
3930 FN3 FC4 gb_17
3931 FC4 FO4 gb_5
3932 FC4 FC4A gb_16
3933 FC4A FN5 gb_12
3934 FN5 FC5A gb_12
3935 FC5A FC6 gb_16
3936 FC6 FC7 gb_16
3937 FC7 FCM7 gb_27
3938 FC7 FC8 gb_16
3939 FC8 FCM8 gb_27
3940 FC8 FC9 gb_16
3941 FCA FCB gb_27
3942 FCB FOB gb_18
3943 FCB FCG gb_27
3944 FOB FHB gb_1
3945 FCG FOG gb_18
3946 FCG FCD gb_27
3947 FOG FHG gb_1
3948 FCD FOD gb_18
3949 FCD FCE gb_27
3950 FOD FHD gb_1
3951 FCE FOZ gb_18
3952 FOZ FPH gb_28
3953 FPH FOH gb_28
3954 FPH FOT1 gb_24
3955 FPH FOT2 gb_24
3956 FOH FHH gb_1
3957 [ exclusions ]
3958 ; ai aj
3959 FC9A FN1
3960 FC9A FC4A
3961 FC9A FC7
3962 FC9A FCM8
3963 FN10 FC2
3964 FN10 FC4
3965 FN10 FN5
3966 FN10 FC6
3967 FN10 FC8
3968 FC10A FO2
3969 FC10A FN3
3970 FC10A FO4
3971 FC10A FC5A
3972 FC10A FC9
3973 FN1 FH3
3974 FN1 FC4
3975 FN1 FN5
3976 FN1 FCA
3977 FC2 FO4
3978 FC2 FC4A
3979 FO2 FH3
3980 FO2 FC4
3981 FN3 FN5
3982 FH3 FO4
3983 FH3 FC4A
3984 FC4 FC5A
3985 FO4 FN5
3986 FC4A FC6
3987 FC4A FCA
3988 FN5 FC7
3989 FN5 FC9
3990 FC5A FCM7
3991 FC5A FC8
3992 FC5A FCA
3993 FC6 FCM8
3994 FC6 FC9
3995 FCM7 FCM8
3996 FCM7 FC9
3997 FC9 FCA
3998 FOZ FHH
3999 FHH FOT1
4000 FHH FOT2
4001 [ angles ]
4002 ; ai aj ak gromos type
4003 FN10 FC9A FC5A ga_27
4004 FN10 FC9A FC9 ga_27
4005 FC5A FC9A FC9 ga_27
4006 FC9A FN10 FC10A ga_27
4007 FC9A FN10 FCA ga_27
4008 FC10A FN10 FCA ga_27
4009 FN10 FC10A FN1 ga_27
4010 FN10 FC10A FC4A ga_27
4011 FN1 FC10A FC4A ga_27
4012 FC10A FN1 FC2 ga_27
4013 FN1 FC2 FO2 ga_27
4014 FN1 FC2 FN3 ga_27
4015 FO2 FC2 FN3 ga_27
4016 FC2 FN3 FH3 ga_25
4017 FC2 FN3 FC4 ga_27
4018 FH3 FN3 FC4 ga_25
4019 FN3 FC4 FO4 ga_27
4020 FN3 FC4 FC4A ga_27
4021 FO4 FC4 FC4A ga_27
4022 FC10A FC4A FC4 ga_27
4023 FC10A FC4A FN5 ga_27
4024 FC4 FC4A FN5 ga_27
4025 FC4A FN5 FC5A ga_27
4026 FC9A FC5A FN5 ga_27
4027 FC9A FC5A FC6 ga_27
4028 FN5 FC5A FC6 ga_27
4029 FC5A FC6 FC7 ga_27
4030 FC6 FC7 FCM7 ga_27
4031 FC6 FC7 FC8 ga_27
4032 FCM7 FC7 FC8 ga_27
4033 FC7 FC8 FCM8 ga_27
4034 FC7 FC8 FC9 ga_27
4035 FCM8 FC8 FC9 ga_27
4036 FC9A FC9 FC8 ga_27
4037 FN10 FCA FCB ga_15
4038 FCA FCB FOB ga_15
4039 FCA FCB FCG ga_15
4040 FOB FCB FCG ga_13
4041 FCB FOB FHB ga_12
4042 FCB FCG FOG ga_13
4043 FCB FCG FCD ga_15
4044 FOG FCG FCD ga_13
4045 FCG FOG FHG ga_12
4046 FCG FCD FOD ga_13
4047 FCG FCD FCE ga_15
4048 FOD FCD FCE ga_15
4049 FCD FOD FHD ga_12
4050 FCD FCE FOZ ga_15
4051 FCE FOZ FPH ga_26
4052 FOZ FPH FOH ga_5
4053 FOZ FPH FOT1 ga_14
4054 FOZ FPH FOT2 ga_14
4055 FOH FPH FOT1 ga_14
4056 FOH FPH FOT2 ga_14
4057 FOT1 FPH FOT2 ga_29
4058 FPH FOH FHH ga_12
4059 [ impropers ]
4060 ; ai aj ak al gromos type
4061 FC9A FN10 FC9 FC5A gi_1
4062 FC9A FC5A FC6 FC7 gi_1
4063 FN10 FC9A FC5A FN5 gi_1
4064 FN10 FC10A FC4A FN5 gi_1
4065 FC10A FN1 FC2 FN3 gi_1
4066 FN1 FC10A FC4A FC4 gi_1
4067 FN1 FC2 FN3 FC4 gi_1
4068 FC2 FN1 FN3 FO2 gi_1
4069 FC2 FN3 FC4 FC4A gi_1
4070 FN3 FC2 FC4 FH3 gi_1
4071 FN3 FC4 FC4A FC10A gi_1
4072 FC4 FN3 FC4A FO4 gi_1
4073 FC4A FN10 FN1 FC10A gi_1
4074 FC4A FC10A FN1 FC2 gi_1
4075 FC4A FC4 FN5 FC10A gi_1
4076 FC5A FC9A FC9 FC8 gi_1
4077 FC5A FN5 FC6 FC9A gi_1
4078 FC5A FC6 FC7 FC8 gi_1
4079 FC6 FC7 FC8 FC9 gi_1
4080 FC7 FC6 FC8 FCM7 gi_1
4081 FC7 FC8 FC9 FC9A gi_1
4082 FC8 FC7 FC9 FCM8 gi_1
4083 FC9 FC9A FC5A FC6 gi_1
4084 FCB FOB FCG FCA gi_2
4085 FCG FOG FCD FCB gi_2
4086 FCD FOD FCE FCG gi_2
4087 [ dihedrals ]
4088 ; ai aj ak al gromos type
4089 FC5A FC9A FN10 FC10A gd_14
4090 FC9A FN10 FC10A FC4A gd_14
4091 FC9A FN10 FCA FCB gd_40
4092 FC10A FC4A FN5 FC5A gd_14
4093 FC4A FN5 FC5A FC9A gd_14
4094 FN10 FCA FCB FCG gd_34
4095 FCA FCB FOB FHB gd_23
4096 FCA FCB FCG FCD gd_34
4097 FCB FCG FOG FHG gd_23
4098 FCB FCG FCD FCE gd_34
4099 FCG FCD FOD FHD gd_23
4100 FCG FCD FCE FOZ gd_34
4101 FCD FCE FOZ FPH gd_29
4102 FCE FOZ FPH FOH gd_19
4103 FCE FOZ FPH FOH gd_22
4104 FOZ FPH FOH FHH gd_19
4105 FOZ FPH FOH FHH gd_22
4107 [ FMNS ]
4108 [ atoms ]
4109 FC9A C 0.20000 0
4110 FN10 NR -0.20000 0
4111 FC10A C 0.36000 1
4112 FN1 NR -0.36000 1
4113 FC2 C 0.38000 2
4114 FO2 O -0.38000 2
4115 FN3 NR -0.28000 3
4116 FH3 H 0.28000 3
4117 FC4 C 0.38000 4
4118 FO4 O -0.38000 4
4119 FC4A C 0.00000 5
4120 FN5 NR -0.28000 6
4121 FH5 H 0.28000 6
4122 FC5A C 0.00000 7
4123 FC6 CR1 0.00000 8
4124 FC7 C 0.00000 9
4125 FCM7 CH3 0.00000 9
4126 FC8 C 0.00000 10
4127 FCM8 CH3 0.00000 10
4128 FC9 CR1 0.00000 11
4129 FCA CH2 0.00000 12
4130 FCB CH1 0.15000 13
4131 FOB OA -0.54800 13
4132 FHB H 0.39800 13
4133 FCG CH1 0.15000 14
4134 FOG OA -0.54800 14
4135 FHG H 0.39800 14
4136 FCD CH1 0.15000 15
4137 FOD OA -0.54800 15
4138 FHD H 0.39800 15
4139 FCE CH2 0.15000 16
4140 FOZ OA -0.36000 16
4141 FPH P 0.63000 16
4142 FOH OA -0.54800 16
4143 FHH H 0.39800 16
4144 FOT1 OM -0.63500 16
4145 FOT2 OM -0.63500 16
4146 [ bonds ]
4147 FC9A FN10 gb_17
4148 FC9A FC5A gb_16
4149 FC9A FC9 gb_16
4150 FN10 FC10A gb_17
4151 FN10 FCA gb_23
4152 FC10A FN1 gb_12
4153 FC10A FC4A gb_16
4154 FN1 FC2 gb_12
4155 FC2 FO2 gb_5
4156 FC2 FN3 gb_17
4157 FN3 FH3 gb_2
4158 FN3 FC4 gb_17
4159 FC4 FO4 gb_5
4160 FC4 FC4A gb_16
4161 FC4A FN5 gb_17
4162 FN5 FH5 gb_2
4163 FN5 FC5A gb_17
4164 FC5A FC6 gb_16
4165 FC6 FC7 gb_16
4166 FC7 FCM7 gb_27
4167 FC7 FC8 gb_16
4168 FC8 FCM8 gb_27
4169 FC8 FC9 gb_16
4170 FCA FCB gb_27
4171 FCB FOB gb_18
4172 FCB FCG gb_27
4173 FOB FHB gb_1
4174 FCG FOG gb_18
4175 FCG FCD gb_27
4176 FOG FHG gb_1
4177 FCD FOD gb_18
4178 FCD FCE gb_27
4179 FOD FHD gb_1
4180 FCE FOZ gb_18
4181 FOZ FPH gb_28
4182 FPH FOH gb_28
4183 FPH FOT1 gb_24
4184 FPH FOT2 gb_24
4185 FOH FHH gb_1
4186 [ exclusions ]
4187 ; ai aj
4188 FC9A FN1
4189 FC9A FC4A
4190 FC9A FH5
4191 FC9A FC7
4192 FC9A FCM8
4193 FN10 FC2
4194 FN10 FC4
4195 FN10 FN5
4196 FN10 FC6
4197 FN10 FC8
4198 FC10A FO2
4199 FC10A FN3
4200 FC10A FO4
4201 FC10A FH5
4202 FC10A FC5A
4203 FC10A FC9
4204 FN1 FH3
4205 FN1 FC4
4206 FN1 FN5
4207 FN1 FCA
4208 FC2 FO4
4209 FC2 FC4A
4210 FO2 FH3
4211 FO2 FC4
4212 FN3 FN5
4213 FH3 FO4
4214 FH3 FC4A
4215 FC4 FH5
4216 FC4 FC5A
4217 FO4 FN5
4218 FC4A FC6
4219 FC4A FCA
4220 FN5 FC7
4221 FN5 FC9
4222 FH5 FC6
4223 FC5A FCM7
4224 FC5A FC8
4225 FC5A FCA
4226 FC6 FCM8
4227 FC6 FC9
4228 FCM7 FCM8
4229 FCM7 FC9
4230 FC9 FCA
4231 FOZ FHH
4232 FHH FOT1
4233 FHH FOT2
4234 [ angles ]
4235 ; ai aj ak gromos type
4236 FN10 FC9A FC5A ga_27
4237 FN10 FC9A FC9 ga_27
4238 FC5A FC9A FC9 ga_27
4239 FC9A FN10 FC10A ga_27
4240 FC9A FN10 FCA ga_27
4241 FC10A FN10 FCA ga_27
4242 FN10 FC10A FN1 ga_27
4243 FN10 FC10A FC4A ga_27
4244 FN1 FC10A FC4A ga_27
4245 FC10A FN1 FC2 ga_27
4246 FN1 FC2 FO2 ga_27
4247 FN1 FC2 FN3 ga_27
4248 FO2 FC2 FN3 ga_27
4249 FC2 FN3 FH3 ga_25
4250 FC2 FN3 FC4 ga_27
4251 FH3 FN3 FC4 ga_25
4252 FN3 FC4 FO4 ga_27
4253 FN3 FC4 FC4A ga_27
4254 FO4 FC4 FC4A ga_27
4255 FC10A FC4A FC4 ga_27
4256 FC10A FC4A FN5 ga_27
4257 FC4 FC4A FN5 ga_27
4258 FC4A FN5 FH5 ga_25
4259 FC4A FN5 FC5A ga_27
4260 FH5 FN5 FC5A ga_25
4261 FC9A FC5A FN5 ga_27
4262 FC9A FC5A FC6 ga_27
4263 FN5 FC5A FC6 ga_27
4264 FC5A FC6 FC7 ga_27
4265 FC6 FC7 FCM7 ga_27
4266 FC6 FC7 FC8 ga_27
4267 FCM7 FC7 FC8 ga_27
4268 FC7 FC8 FCM8 ga_27
4269 FC7 FC8 FC9 ga_27
4270 FCM8 FC8 FC9 ga_27
4271 FC9A FC9 FC8 ga_27
4272 FN10 FCA FCB ga_15
4273 FCA FCB FOB ga_15
4274 FCA FCB FCG ga_15
4275 FOB FCB FCG ga_13
4276 FCB FOB FHB ga_12
4277 FCB FCG FOG ga_13
4278 FCB FCG FCD ga_15
4279 FOG FCG FCD ga_13
4280 FCG FOG FHG ga_12
4281 FCG FCD FOD ga_13
4282 FCG FCD FCE ga_15
4283 FOD FCD FCE ga_15
4284 FCD FOD FHD ga_12
4285 FCD FCE FOZ ga_15
4286 FCE FOZ FPH ga_26
4287 FOZ FPH FOH ga_5
4288 FOZ FPH FOT1 ga_14
4289 FOZ FPH FOT2 ga_14
4290 FOH FPH FOT1 ga_14
4291 FOH FPH FOT2 ga_14
4292 FOT1 FPH FOT2 ga_29
4293 FPH FOH FHH ga_12
4294 [ impropers ]
4295 ; ai aj ak al gromos type
4296 FC9A FN10 FC9 FC5A gi_1
4297 FC9A FC5A FC6 FC7 gi_1
4298 FN10 FC9A FC5A FN5 gi_1
4299 FN10 FC10A FC4A FN5 gi_1
4300 FC10A FN1 FC2 FN3 gi_1
4301 FN1 FC10A FC4A FC4 gi_1
4302 FN1 FC2 FN3 FC4 gi_1
4303 FC2 FN1 FN3 FO2 gi_1
4304 FC2 FN3 FC4 FC4A gi_1
4305 FN3 FC2 FC4 FH3 gi_1
4306 FN3 FC4 FC4A FC10A gi_1
4307 FC4 FN3 FC4A FO4 gi_1
4308 FC4A FN10 FN1 FC10A gi_1
4309 FC4A FC10A FN1 FC2 gi_1
4310 FC4A FC4 FN5 FC10A gi_1
4311 FC5A FC9A FC9 FC8 gi_1
4312 FC5A FN5 FC6 FC9A gi_1
4313 FC5A FC6 FC7 FC8 gi_1
4314 FC6 FC7 FC8 FC9 gi_1
4315 FC7 FC6 FC8 FCM7 gi_1
4316 FC7 FC8 FC9 FC9A gi_1
4317 FC8 FC7 FC9 FCM8 gi_1
4318 FC9 FC9A FC5A FC6 gi_1
4319 FCB FOB FCG FCA gi_2
4320 FCG FOG FCD FCB gi_2
4321 FCD FOD FCE FCG gi_2
4322 [ dihedrals ]
4323 ; ai aj ak al gromos type
4324 FC5A FC9A FN10 FC10A gd_14
4325 FC9A FN10 FC10A FC4A gd_14
4326 FC9A FN10 FCA FCB gd_40
4327 FC10A FC4A FN5 FC5A gd_14
4328 FC4A FN5 FC5A FC9A gd_14
4329 FN10 FCA FCB FCG gd_34
4330 FCA FCB FOB FHB gd_23
4331 FCA FCB FCG FCD gd_34
4332 FCB FCG FOG FHG gd_23
4333 FCB FCG FCD FCE gd_34
4334 FCG FCD FOD FHD gd_23
4335 FCG FCD FCE FOZ gd_34
4336 FCD FCE FOZ FPH gd_29
4337 FCE FOZ FPH FOH gd_19
4338 FCE FOZ FPH FOH gd_22
4339 FOZ FPH FOH FHH gd_19
4340 FOZ FPH FOH FHH gd_22
4342 [ FMNR ]
4343 [ atoms ]
4344 FC9A C 0.10000 0
4345 FN10 NR -0.20000 0
4346 FC10A C 0.10000 0
4347 FN1 NR -0.28000 1
4348 FH1 H 0.28000 1
4349 FC2 C 0.38000 2
4350 FO2 O -0.38000 2
4351 FN3 NR -0.28000 3
4352 FH3 H 0.28000 3
4353 FC4 C 0.38000 4
4354 FO4 O -0.38000 4
4355 FC4A C 0.00000 5
4356 FN5 NR -0.28000 6
4357 FH5 H 0.28000 6
4358 FC5A C 0.00000 7
4359 FC6 CR1 0.00000 8
4360 FC7 C 0.00000 9
4361 FCM7 CH3 0.00000 9
4362 FC8 C 0.00000 10
4363 FCM8 CH3 0.00000 10
4364 FC9 CR1 0.00000 11
4365 FCA CH2 0.00000 12
4366 FCB CH1 0.15000 13
4367 FOB OA -0.54800 13
4368 FHB H 0.39800 13
4369 FCG CH1 0.15000 14
4370 FOG OA -0.54800 14
4371 FHG H 0.39800 14
4372 FCD CH1 0.15000 15
4373 FOD OA -0.54800 15
4374 FHD H 0.39800 15
4375 FCE CH2 0.15000 16
4376 FOZ OA -0.36000 16
4377 FPH P 0.63000 16
4378 FOH OA -0.54800 16
4379 FHH H 0.39800 16
4380 FOT1 OM -0.63500 16
4381 FOT2 OM -0.63500 16
4382 [ bonds ]
4383 FC9A FN10 gb_17
4384 FC9A FC5A gb_16
4385 FC9A FC9 gb_16
4386 FN10 FC10A gb_17
4387 FN10 FCA gb_23
4388 FC10A FN1 gb_17
4389 FC10A FC4A gb_16
4390 FN1 FH1 gb_2
4391 FN1 FC2 gb_17
4392 FC2 FO2 gb_15
4393 FC2 FN3 gb_17
4394 FN3 FH3 gb_2
4395 FN3 FC4 gb_17
4396 FC4 FO4 gb_5
4397 FC4 FC4A gb_16
4398 FC4A FN5 gb_17
4399 FN5 FH5 gb_2
4400 FN5 FC5A gb_17
4401 FC5A FC6 gb_16
4402 FC6 FC7 gb_16
4403 FC7 FCM7 gb_27
4404 FC7 FC8 gb_16
4405 FC8 FCM8 gb_27
4406 FC8 FC9 gb_16
4407 FCA FCB gb_27
4408 FCB FOB gb_18
4409 FCB FCG gb_27
4410 FOB FHB gb_1
4411 FCG FOG gb_18
4412 FCG FCD gb_27
4413 FOG FHG gb_1
4414 FCD FOD gb_18
4415 FCD FCE gb_27
4416 FOD FHD gb_1
4417 FCE FOZ gb_18
4418 FOZ FPH gb_28
4419 FPH FOH gb_28
4420 FPH FOT1 gb_24
4421 FPH FOT2 gb_24
4422 FOH FHH gb_1
4423 [ exclusions ]
4424 ; ai aj
4425 FC9A FN1
4426 FC9A FC4A
4427 FC9A FH5
4428 FC9A FC7
4429 FC9A FCM8
4430 FN10 FH1
4431 FN10 FC2
4432 FN10 FC4
4433 FN10 FN5
4434 FN10 FC6
4435 FN10 FC8
4436 FC10A FO2
4437 FC10A FN3
4438 FC10A FO4
4439 FC10A FH5
4440 FC10A FC5A
4441 FC10A FC9
4442 FN1 FH3
4443 FN1 FC4
4444 FN1 FN5
4445 FN1 FCA
4446 FH1 FO2
4447 FH1 FN3
4448 FH1 FC4A
4449 FC2 FO4
4450 FC2 FC4A
4451 FO2 FH3
4452 FO2 FC4
4453 FN3 FN5
4454 FH3 FO4
4455 FH3 FC4A
4456 FC4 FH5
4457 FC4 FC5A
4458 FO4 FN5
4459 FC4A FC6
4460 FC4A FCA
4461 FN5 FC7
4462 FN5 FC9
4463 FH5 FC6
4464 FC5A FCM7
4465 FC5A FC8
4466 FC5A FCA
4467 FC6 FCM8
4468 FC6 FC9
4469 FCM7 FCM8
4470 FCM7 FC9
4471 FC9 FCA
4472 FOZ FHH
4473 FHH FOT1
4474 FHH FOT2
4475 FOT1 +N
4476 [ angles ]
4477 ; ai aj ak gromos type
4478 FN10 FC9A FC5A ga_27
4479 FN10 FC9A FC9 ga_27
4480 FC5A FC9A FC9 ga_27
4481 FC9A FN10 FC10A ga_27
4482 FC9A FN10 FCA ga_27
4483 FC10A FN10 FCA ga_27
4484 FN10 FC10A FN1 ga_27
4485 FN10 FC10A FC4A ga_27
4486 FN1 FC10A FC4A ga_27
4487 FC10A FN1 FH1 ga_25
4488 FC10A FN1 FC2 ga_27
4489 FH1 FN1 FC2 ga_25
4490 FN1 FC2 FO2 ga_27
4491 FN1 FC2 FN3 ga_27
4492 FO2 FC2 FN3 ga_27
4493 FC2 FN3 FH3 ga_25
4494 FC2 FN3 FC4 ga_27
4495 FH3 FN3 FC4 ga_25
4496 FN3 FC4 FO4 ga_27
4497 FN3 FC4 FC4A ga_27
4498 FO4 FC4 FC4A ga_27
4499 FC10A FC4A FC4 ga_27
4500 FC10A FC4A FN5 ga_27
4501 FC4 FC4A FN5 ga_27
4502 FC4A FN5 FH5 ga_25
4503 FC4A FN5 FC5A ga_27
4504 FH5 FN5 FC5A ga_25
4505 FC9A FC5A FN5 ga_27
4506 FC9A FC5A FC6 ga_27
4507 FN5 FC5A FC6 ga_27
4508 FC5A FC6 FC7 ga_27
4509 FC6 FC7 FCM7 ga_27
4510 FC6 FC7 FC8 ga_27
4511 FCM7 FC7 FC8 ga_27
4512 FC7 FC8 FCM8 ga_27
4513 FC7 FC8 FC9 ga_27
4514 FCM8 FC8 FC9 ga_27
4515 FC9A FC9 FC8 ga_27
4516 FN10 FCA FCB ga_15
4517 FCA FCB FOB ga_15
4518 FCA FCB FCG ga_15
4519 FOB FCB FCG ga_13
4520 FCB FOB FHB ga_12
4521 FCB FCG FOG ga_13
4522 FCB FCG FCD ga_15
4523 FOG FCG FCD ga_13
4524 FCG FOG FHG ga_12
4525 FCG FCD FOD ga_13
4526 FCG FCD FCE ga_15
4527 FOD FCD FCE ga_15
4528 FCD FOD FHD ga_12
4529 FCD FCE FOZ ga_15
4530 FCE FOZ FPH ga_26
4531 FOZ FPH FOH ga_5
4532 FOZ FPH FOT1 ga_14
4533 FOZ FPH FOT2 ga_14
4534 FOH FPH FOT1 ga_14
4535 FOH FPH FOT2 ga_14
4536 FOT1 FPH FOT2 ga_29
4537 FPH FOH FHH ga_12
4538 [ impropers ]
4539 ; ai aj ak al gromos type
4540 FC9A FN10 FC9 FC5A gi_1
4541 FC9A FC5A FC6 FC7 gi_1
4542 FN10 FC9A FC5A FN5 gi_1
4543 FN10 FC10A FC4A FN5 gi_1
4544 FC10A FN1 FC2 FN3 gi_1
4545 FN1 FC10A FC2 FH1 gi_1
4546 FN1 FC10A FC4A FC4 gi_1
4547 FN1 FC2 FN3 FC4 gi_1
4548 FC2 FN1 FN3 FO2 gi_1
4549 FC2 FN3 FC4 FC4A gi_1
4550 FN3 FC2 FC4 FH3 gi_1
4551 FN3 FC4 FC4A FC10A gi_1
4552 FC4 FN3 FC4A FO4 gi_1
4553 FC4A FN10 FN1 FC10A gi_1
4554 FC4A FC10A FN1 FC2 gi_1
4555 FC4A FC4 FN5 FC10A gi_1
4556 FC5A FC9A FC9 FC8 gi_1
4557 FC5A FN5 FC6 FC9A gi_1
4558 FC5A FC6 FC7 FC8 gi_1
4559 FC6 FC7 FC8 FC9 gi_1
4560 FC7 FC6 FC8 FCM7 gi_1
4561 FC7 FC8 FC9 FC9A gi_1
4562 FC8 FC7 FC9 FCM8 gi_1
4563 FC9 FC9A FC5A FC6 gi_1
4564 FCB FOB FCG FCA gi_2
4565 FCG FOG FCD FCB gi_2
4566 FCD FOD FCE FCG gi_2
4567 [ dihedrals ]
4568 ; ai aj ak al gromos type
4569 FC5A FC9A FN10 FC10A gd_14
4570 FC9A FN10 FC10A FC4A gd_14
4571 FC9A FN10 FCA FCB gd_40
4572 FC10A FC4A FN5 FC5A gd_14
4573 FC4A FN5 FC5A FC9A gd_14
4574 FN10 FCA FCB FCG gd_34
4575 FCA FCB FOB FHB gd_23
4576 FCA FCB FCG FCD gd_34
4577 FCB FCG FOG FHG gd_23
4578 FCB FCG FCD FCE gd_34
4579 FCG FCD FOD FHD gd_23
4580 FCG FCD FCE FOZ gd_34
4581 FCD FCE FOZ FPH gd_29
4582 FCE FOZ FPH FOH gd_19
4583 FCE FOZ FPH FOH gd_22
4584 FOZ FPH FOH FHH gd_19
4585 FOZ FPH FOH FHH gd_22
4587 [ PFN ]
4588 [ atoms ]
4589 FC9A C 0.00000 0
4590 FC10 CR1 0.00000 0
4591 FC10A C 0.00000 0
4592 FC1 CR1 0.00000 1
4593 FC2 CR1 0.00000 1
4594 FC3 C 0.00000 2
4595 FN3 NT -0.83000 3
4596 FH31 H 0.41500 3
4597 FH32 H 0.41500 3
4598 FC4 CR1 0.00000 4
4599 FC4A C 0.15000 5
4600 FN5 NR 0.28500 5
4601 FH5 H 0.41500 5
4602 FC5A C 0.15000 5
4603 FC6 CR1 0.00000 6
4604 FC7 C 0.00000 7
4605 FN7 NT -0.83000 8
4606 FH71 H 0.41500 8
4607 FH72 H 0.41500 8
4608 FC8 CR1 0.00000 9
4609 FC9 CR1 0.00000 9
4610 [ bonds ]
4611 FC9A FC10 gb_16
4612 FC9A FC5A gb_16
4613 FC9A FC9 gb_16
4614 FC10 FC10A gb_16
4615 FC10A FC1 gb_16
4616 FC10A FC4A gb_16
4617 FC1 FC2 gb_16
4618 FC2 FC3 gb_16
4619 FC3 FN3 gb_9
4620 FC3 FC4 gb_16
4621 FN3 FH31 gb_2
4622 FN3 FH32 gb_2
4623 FC4 FC4A gb_16
4624 FC4A FN5 gb_17
4625 FN5 FH5 gb_2
4626 FN5 FC5A gb_17
4627 FC5A FC6 gb_16
4628 FC6 FC7 gb_16
4629 FC7 FN7 gb_9
4630 FC7 FC8 gb_16
4631 FN7 FH71 gb_2
4632 FN7 FH72 gb_2
4633 FC8 FC9 gb_16
4634 [ exclusions ]
4635 ; ai aj
4636 FC9A FC1
4637 FC9A FC4A
4638 FC9A FH5
4639 FC9A FC7
4640 FC10 FC2
4641 FC10 FC4
4642 FC10 FN5
4643 FC10 FC6
4644 FC10 FC8
4645 FC10A FC3
4646 FC10A FH5
4647 FC10A FC5A
4648 FC10A FC9
4649 FC1 FN3
4650 FC1 FC4
4651 FC1 FN5
4652 FC2 FC4A
4653 FC3 FN5
4654 FN3 FC4A
4655 FC4 FH5
4656 FC4 FC5A
4657 FC4A FC6
4658 FN5 FC7
4659 FN5 FC9
4660 FH5 FC6
4661 FC5A FN7
4662 FC5A FC8
4663 FC6 FC9
4664 FN7 FC9
4665 [ angles ]
4666 ; ai aj ak gromos type
4667 FC10 FC9A FC5A ga_27
4668 FC10 FC9A FC9 ga_27
4669 FC5A FC9A FC9 ga_27
4670 FC9A FC10 FC10A ga_27
4671 FC10 FC10A FC1 ga_27
4672 FC10 FC10A FC4A ga_27
4673 FC1 FC10A FC4A ga_27
4674 FC10A FC1 FC2 ga_27
4675 FC1 FC2 FC3 ga_27
4676 FC2 FC3 FN3 ga_27
4677 FC2 FC3 FC4 ga_27
4678 FN3 FC3 FC4 ga_27
4679 FC3 FN3 FH31 ga_23
4680 FC3 FN3 FH32 ga_23
4681 FH31 FN3 FH32 ga_24
4682 FC3 FC4 FC4A ga_27
4683 FC10A FC4A FC4 ga_27
4684 FC10A FC4A FN5 ga_27
4685 FC4 FC4A FN5 ga_27
4686 FC4A FN5 FH5 ga_25
4687 FC4A FN5 FC5A ga_27
4688 FH5 FN5 FC5A ga_25
4689 FC9A FC5A FN5 ga_27
4690 FC9A FC5A FC6 ga_27
4691 FN5 FC5A FC6 ga_27
4692 FC5A FC6 FC7 ga_27
4693 FC6 FC7 FN7 ga_27
4694 FC6 FC7 FC8 ga_27
4695 FN7 FC7 FC8 ga_27
4696 FC7 FN7 FH71 ga_23
4697 FC7 FN7 FH72 ga_23
4698 FH71 FN7 FH72 ga_24
4699 FC7 FC8 FC9 ga_27
4700 FC9A FC9 FC8 ga_27
4701 [ impropers ]
4702 ; ai aj ak al gromos type
4703 FC9A FC10 FC10A FC4A gi_1
4704 FC9A FC10 FC9 FC5A gi_1
4705 FC9A FC5A FC6 FC7 gi_1
4706 FC10 FC9A FC5A FN5 gi_1
4707 FC10 FC10A FC4A FN5 gi_1
4708 FC10A FC1 FC2 FC3 gi_1
4709 FC10A FC4A FN5 FC5A gi_1
4710 FC1 FC10A FC4A FC4 gi_1
4711 FC1 FC2 FC3 FC4 gi_1
4712 FC2 FC3 FC4 FC4A gi_1
4713 FC3 FC2 FC4 FN3 gi_1
4714 FC3 FC4 FC4A FC10A gi_1
4715 FN3 FH31 FH32 FC3 gi_1
4716 FC4A FC10 FC1 FC10A gi_1
4717 FC4A FC10A FC1 FC2 gi_1
4718 FC4A FC4 FN5 FC10A gi_1
4719 FC4A FN5 FC5A FC9A gi_1
4720 FN5 FC4A FC5A FH5 gi_1
4721 FC5A FC9A FC10 FC10A gi_1
4722 FC5A FC9A FC9 FC8 gi_1
4723 FC5A FN5 FC6 FC9A gi_1
4724 FC5A FC6 FC7 FC8 gi_1
4725 FC6 FC7 FC8 FC9 gi_1
4726 FC7 FC8 FC9 FC9A gi_1
4727 FN7 FC6 FC8 FC7 gi_1
4728 FN7 FH71 FH72 FC7 gi_1
4729 FC9 FC9A FC5A FC6 gi_1
4730 [ dihedrals ]
4731 ; ai aj ak al gromos type
4732 FC2 FC3 FN3 FH31 gd_14
4733 FC8 FC7 FN7 FH71 gd_14
4735 [ NADP ]
4736 [ atoms ]
4737 AP P 0.76000 0
4738 AO1P OM -0.63500 0
4739 AO2P OM -0.63500 0
4740 AO5* OA -0.36000 0
4741 O3P OA -0.26000 1
4742 NP P 0.76000 1
4743 NO1P OM -0.63500 1
4744 NO2P OM -0.63500 1
4745 NO5* OA -0.36000 1
4746 AC5* CH2 0.00000 2
4747 AC4* CH1 0.16000 3
4748 AO4* OA -0.36000 3
4749 AC1* CH1 0.20000 3
4750 AN9 NR -0.20000 4
4751 AC4 C 0.20000 4
4752 AN3 NR -0.36000 5
4753 AC2 CR1 0.36000 5
4754 AN1 NR -0.36000 6
4755 AC6 C 0.36000 6
4756 AN6 NT -0.83000 7
4757 AH61 H 0.41500 7
4758 AH62 H 0.41500 7
4759 AC5 C 0.00000 8
4760 AN7 NR -0.36000 8
4761 AC8 CR1 0.36000 8
4762 AC2* CH1 0.15000 9
4763 AO2* OA -0.54800 9
4764 AH2* H 0.39800 9
4765 AC3* CH1 0.15000 10
4766 AO3* OA -0.54800 10
4767 AH3* H 0.39800 10
4768 NC5* CH2 0.00000 11
4769 NC4* CH1 0.16000 12
4770 NO4* OA -0.36000 12
4771 NC1* CH1 0.20000 12
4772 NN1 NR 0.10000 13
4773 NC6 CR1 0.30000 13
4774 NC2 CR1 0.25000 13
4775 NC3 C 0.00000 13
4776 NC4 CR1 0.25000 13
4777 NC5 CR1 0.10000 13
4778 NC7 C 0.38000 14
4779 NO7 O -0.38000 14
4780 NN7 NT -0.83000 15
4781 NH71 H 0.41500 15
4782 NH72 H 0.41500 15
4783 NC2* CH1 0.15000 16
4784 NO2* OA -0.54800 16
4785 NH2* H 0.39800 16
4786 NC3* CH1 0.15000 17
4787 NO3* OA -0.54800 17
4788 NH3* H 0.39800 17
4789 [ bonds ]
4790 AP AO1P gb_24
4791 AP AO2P gb_24
4792 AP AO5* gb_28
4793 AP O3P gb_28
4794 AO5* AC5* gb_20
4795 O3P NP gb_28
4796 NP NO1P gb_24
4797 NP NO2P gb_24
4798 NP NO5* gb_28
4799 NO5* NC5* gb_20
4800 AC5* AC4* gb_26
4801 AC4* AO4* gb_20
4802 AC4* AC3* gb_26
4803 AO4* AC1* gb_20
4804 AC1* AN9 gb_22
4805 AC1* AC2* gb_26
4806 AN9 AC4 gb_10
4807 AN9 AC8 gb_10
4808 AC4 AN3 gb_12
4809 AC4 AC5 gb_16
4810 AN3 AC2 gb_7
4811 AC2 AN1 gb_7
4812 AN1 AC6 gb_12
4813 AC6 AN6 gb_9
4814 AC6 AC5 gb_16
4815 AN6 AH61 gb_2
4816 AN6 AH62 gb_2
4817 AC5 AN7 gb_10
4818 AN7 AC8 gb_10
4819 AC2* AO2* gb_20
4820 AC2* AC3* gb_26
4821 AO2* AH2* gb_1
4822 AC3* AO3* gb_20
4823 AO3* AH3* gb_1
4824 NC5* NC4* gb_26
4825 NC4* NO4* gb_20
4826 NC4* NC3* gb_26
4827 NO4* NC1* gb_20
4828 NC1* NN1 gb_23
4829 NC1* NC2* gb_26
4830 NN1 NC6 gb_17
4831 NN1 NC2 gb_17
4832 NC6 NC5 gb_16
4833 NC2 NC3 gb_16
4834 NC3 NC4 gb_16
4835 NC3 NC7 gb_27
4836 NC4 NC5 gb_16
4837 NC7 NO7 gb_5
4838 NC7 NN7 gb_9
4839 NN7 NH71 gb_2
4840 NN7 NH72 gb_2
4841 NC2* NO2* gb_20
4842 NC2* NC3* gb_26
4843 NO2* NH2* gb_1
4844 NC3* NO3* gb_20
4845 NO3* NH3* gb_1
4846 [ exclusions ]
4847 ; ai aj
4848 AC1* AN3
4849 AC1* AC5
4850 AC1* AN7
4851 AN9 AC2
4852 AN9 AC6
4853 AC4 AN1
4854 AC4 AN6
4855 AN3 AC6
4856 AN3 AN7
4857 AN3 AC8
4858 AC2 AN6
4859 AC2 AC5
4860 AN1 AN7
4861 AC6 AC8
4862 AN6 AN7
4863 NC1* NC3
4864 NC1* NC5
4865 NN1 NC4
4866 NN1 NC7
4867 NC6 NC3
4868 NC2 NC5
4869 NC5 NC7
4870 [ angles ]
4871 ; ai aj ak gromos type
4872 AO1P AP AO2P ga_29
4873 AO1P AP AO5* ga_14
4874 AO1P AP O3P ga_14
4875 AO2P AP AO5* ga_14
4876 AO2P AP O3P ga_14
4877 AO5* AP O3P ga_5
4878 AP AO5* AC5* ga_26
4879 AP O3P NP ga_26
4880 O3P NP NO1P ga_14
4881 O3P NP NO2P ga_14
4882 O3P NP NO5* ga_5
4883 NO1P NP NO2P ga_29
4884 NO1P NP NO5* ga_14
4885 NO2P NP NO5* ga_14
4886 NP NO5* NC5* ga_26
4887 AO5* AC5* AC4* ga_9
4888 AC5* AC4* AO4* ga_9
4889 AC5* AC4* AC3* ga_8
4890 AO4* AC4* AC3* ga_9
4891 AC4* AO4* AC1* ga_10
4892 AO4* AC1* AN9 ga_9
4893 AO4* AC1* AC2* ga_9
4894 AN9 AC1* AC2* ga_9
4895 AC1* AN9 AC4 ga_37
4896 AC1* AN9 AC8 ga_37
4897 AC4 AN9 AC8 ga_7
4898 AN9 AC4 AN3 ga_39
4899 AN9 AC4 AC5 ga_7
4900 AN3 AC4 AC5 ga_27
4901 AC4 AN3 AC2 ga_27
4902 AN3 AC2 AN1 ga_27
4903 AC2 AN1 AC6 ga_27
4904 AN1 AC6 AN6 ga_27
4905 AN1 AC6 AC5 ga_27
4906 AN6 AC6 AC5 ga_27
4907 AC6 AN6 AH61 ga_23
4908 AC6 AN6 AH62 ga_23
4909 AH61 AN6 AH62 ga_24
4910 AC4 AC5 AC6 ga_27
4911 AC4 AC5 AN7 ga_7
4912 AC6 AC5 AN7 ga_39
4913 AC5 AN7 AC8 ga_7
4914 AN9 AC8 AN7 ga_7
4915 AC1* AC2* AO2* ga_9
4916 AC1* AC2* AC3* ga_8
4917 AO2* AC2* AC3* ga_9
4918 AC2* AO2* AH2* ga_12
4919 AC4* AC3* AC2* ga_8
4920 AC4* AC3* AO3* ga_9
4921 AC2* AC3* AO3* ga_9
4922 AC3* AO3* AH3* ga_12
4923 NO5* NC5* NC4* ga_9
4924 NC5* NC4* NO4* ga_9
4925 NC5* NC4* NC3* ga_8
4926 NO4* NC4* NC3* ga_9
4927 NC4* NO4* NC1* ga_10
4928 NO4* NC1* NN1 ga_9
4929 NO4* NC1* NC2* ga_9
4930 NN1 NC1* NC2* ga_8
4931 NC1* NN1 NC6 ga_27
4932 NC1* NN1 NC2 ga_27
4933 NC6 NN1 NC2 ga_27
4934 NN1 NC6 NC5 ga_27
4935 NN1 NC2 NC3 ga_27
4936 NC2 NC3 NC4 ga_27
4937 NC2 NC3 NC7 ga_27
4938 NC4 NC3 NC7 ga_27
4939 NC3 NC4 NC5 ga_27
4940 NC6 NC5 NC4 ga_27
4941 NC3 NC7 NO7 ga_30
4942 NC3 NC7 NN7 ga_19
4943 NO7 NC7 NN7 ga_33
4944 NC7 NN7 NH71 ga_23
4945 NC7 NN7 NH72 ga_23
4946 NH71 NN7 NH72 ga_24
4947 NC1* NC2* NO2* ga_9
4948 NC1* NC2* NC3* ga_8
4949 NO2* NC2* NC3* ga_9
4950 NC2* NO2* NH2* ga_12
4951 NC4* NC3* NC2* ga_8
4952 NC4* NC3* NO3* ga_9
4953 NC2* NC3* NO3* ga_9
4954 NC3* NO3* NH3* ga_12
4955 [ impropers ]
4956 ; ai aj ak al gromos type
4957 AC1* AC4 AC8 AN9 gi_1
4958 AN9 AC4 AC5 AN7 gi_1
4959 AC4 AN9 AN3 AC5 gi_1
4960 AC4 AN9 AC8 AN7 gi_1
4961 AC4 AN3 AC2 AN1 gi_1
4962 AC4 AC5 AN7 AC8 gi_1
4963 AN3 AC4 AC5 AC6 gi_1
4964 AN3 AC2 AN1 AC6 gi_1
4965 AC2 AN1 AC6 AC5 gi_1
4966 AN1 AC6 AC5 AC4 gi_1
4967 AN6 AN1 AC5 AC6 gi_1
4968 AN6 AH61 AH62 AC6 gi_1
4969 AC5 AC4 AN3 AC2 gi_1
4970 AC5 AC6 AN7 AC4 gi_1
4971 AC5 AN7 AC8 AN9 gi_1
4972 AC8 AN9 AC4 AC5 gi_1
4973 AC2* AO4* AN9 AC1* gi_2
4974 AC2* AO2* AC3* AC1* gi_2
4975 AC3* AC5* AO4* AC4* gi_2
4976 AC3* AC2* AO3* AC4* gi_2
4977 NN1 NC6 NC2 NC1* gi_1
4978 NN1 NC6 NC5 NC4 gi_1
4979 NN1 NC2 NC3 NC4 gi_1
4980 NC6 NN1 NC2 NC3 gi_1
4981 NC2 NN1 NC6 NC5 gi_1
4982 NC2 NC3 NC4 NC5 gi_1
4983 NC3 NC4 NC5 NC6 gi_1
4984 NC7 NC2 NC4 NC3 gi_1
4985 NC7 NO7 NN7 NC3 gi_1
4986 NN7 NH71 NH72 NC7 gi_1
4987 NC2* NO4* NN1 NC1* gi_2
4988 NC2* NO2* NC3* NC1* gi_2
4989 NC3* NC5* NO4* NC4* gi_2
4990 NC3* NC2* NO3* NC4* gi_2
4991 [ dihedrals ]
4992 ; ai aj ak al gromos type
4993 O3P AP AO5* AC5* gd_19
4994 O3P AP AO5* AC5* gd_22
4995 AO5* AP O3P NP gd_19
4996 AO5* AP O3P NP gd_22
4997 AP AO5* AC5* AC4* gd_29
4998 AP O3P NP NO5* gd_19
4999 AP O3P NP NO5* gd_22
5000 O3P NP NO5* NC5* gd_19
5001 O3P NP NO5* NC5* gd_22
5002 NP NO5* NC5* NC4* gd_29
5003 AO5* AC5* AC4* AO4* gd_18
5004 AO5* AC5* AC4* AC3* gd_17
5005 AO5* AC5* AC4* AC3* gd_34
5006 AC3* AC4* AO4* AC1* gd_29
5007 AC5* AC4* AC3* AC2* gd_34
5008 AC5* AC4* AC3* AO3* gd_17
5009 AO4* AC4* AC3* AC2* gd_17
5010 AO4* AC4* AC3* AO3* gd_18
5011 AC4* AO4* AC1* AC2* gd_29
5012 AO4* AC1* AN9 AC4 gd_16
5013 AO4* AC1* AC2* AO2* gd_18
5014 AO4* AC1* AC2* AC3* gd_17
5015 AO4* AC1* AC2* AC3* gd_34
5016 AN9 AC1* AC2* AO2* gd_17
5017 AC5 AC6 AN6 AH61 gd_14
5018 AC1* AC2* AO2* AH2* gd_23
5019 AC1* AC2* AC3* AC4* gd_34
5020 AC1* AC2* AC3* AO3* gd_17
5021 AO2* AC2* AC3* AC4* gd_17
5022 AO2* AC2* AC3* AO3* gd_18
5023 AC4* AC3* AO3* AH3* gd_23
5024 NO5* NC5* NC4* NO4* gd_18
5025 NO5* NC5* NC4* NC3* gd_17
5026 NO5* NC5* NC4* NC3* gd_34
5027 NC3* NC4* NO4* NC1* gd_29
5028 NC5* NC4* NC3* NC2* gd_34
5029 NC5* NC4* NC3* NO3* gd_17
5030 NO4* NC4* NC3* NC2* gd_17
5031 NO4* NC4* NC3* NO3* gd_18
5032 NC4* NO4* NC1* NC2* gd_29
5033 NO4* NC1* NN1 NC2 gd_16
5034 NO4* NC1* NC2* NO2* gd_18
5035 NO4* NC1* NC2* NC3* gd_17
5036 NO4* NC1* NC2* NC3* gd_34
5037 NN1 NC1* NC2* NO2* gd_17
5038 NC2 NC3 NC7 NN7 gd_10
5039 NC3 NC7 NN7 NH71 gd_14
5040 NC1* NC2* NO2* NH2* gd_23
5041 NC1* NC2* NC3* NC4* gd_34
5042 NC1* NC2* NC3* NO3* gd_17
5043 NO2* NC2* NC3* NC4* gd_17
5044 NO2* NC2* NC3* NO3* gd_18
5045 NC4* NC3* NO3* NH3* gd_23
5047 [ NADH ]
5048 [ atoms ]
5049 AP P 0.76000 0
5050 AO1P OM -0.63500 0
5051 AO2P OM -0.63500 0
5052 AO5* OA -0.36000 0
5053 O3P OA -0.26000 1
5054 NP P 0.76000 1
5055 NO1P OM -0.63500 1
5056 NO2P OM -0.63500 1
5057 NO5* OA -0.36000 1
5058 AC5* CH2 0.00000 2
5059 AC4* CH1 0.16000 3
5060 AO4* OA -0.36000 3
5061 AC1* CH1 0.20000 3
5062 AN9 NR -0.20000 4
5063 AC4 C 0.20000 4
5064 AN3 NR -0.36000 5
5065 AC2 CR1 0.36000 5
5066 AN1 NR -0.36000 6
5067 AC6 C 0.36000 6
5068 AN6 NT -0.83000 7
5069 AH61 H 0.41500 7
5070 AH62 H 0.41500 7
5071 AC5 C 0.00000 8
5072 AN7 NR -0.36000 8
5073 AC8 CR1 0.36000 8
5074 AC2* CH1 0.15000 9
5075 AO2* OA -0.54800 9
5076 AH2* H 0.39800 9
5077 AC3* CH1 0.15000 10
5078 AO3* OA -0.54800 10
5079 AH3* H 0.39800 10
5080 NC5* CH2 0.00000 11
5081 NC4* CH1 0.16000 12
5082 NO4* OA -0.36000 12
5083 NC1* CH1 0.20000 12
5084 NN1 NR -0.20000 13
5085 NC6 CR1 0.20000 13
5086 NC2 CR1 0.00000 13
5087 NC3 C 0.00000 13
5088 NC4 CH2 0.00000 13
5089 NC5 CR1 0.00000 13
5090 NC7 C 0.38000 14
5091 NO7 O -0.38000 14
5092 NN7 NT -0.83000 15
5093 NH71 H 0.41500 15
5094 NH72 H 0.41500 15
5095 NC2* CH1 0.15000 16
5096 NO2* OA -0.54800 16
5097 NH2* H 0.39800 16
5098 NC3* CH1 0.15000 17
5099 NO3* OA -0.54800 17
5100 NH3* H 0.39800 17
5101 [ bonds ]
5102 AP AO1P gb_24
5103 AP AO2P gb_24
5104 AP AO5* gb_28
5105 AP O3P gb_28
5106 AO5* AC5* gb_20
5107 O3P NP gb_28
5108 NP NO1P gb_24
5109 NP NO2P gb_24
5110 NP NO5* gb_28
5111 NO5* NC5* gb_20
5112 AC5* AC4* gb_26
5113 AC4* AO4* gb_20
5114 AC4* AC3* gb_26
5115 AO4* AC1* gb_20
5116 AC1* AN9 gb_22
5117 AC1* AC2* gb_26
5118 AN9 AC4 gb_10
5119 AN9 AC8 gb_10
5120 AC4 AN3 gb_12
5121 AC4 AC5 gb_16
5122 AN3 AC2 gb_7
5123 AC2 AN1 gb_7
5124 AN1 AC6 gb_12
5125 AC6 AN6 gb_9
5126 AC6 AC5 gb_16
5127 AN6 AH61 gb_2
5128 AN6 AH62 gb_2
5129 AC5 AN7 gb_10
5130 AN7 AC8 gb_10
5131 AC2* AO2* gb_20
5132 AC2* AC3* gb_26
5133 AO2* AH2* gb_1
5134 AC3* AO3* gb_20
5135 AO3* AH3* gb_1
5136 NC5* NC4* gb_26
5137 NC4* NO4* gb_20
5138 NC4* NC3* gb_26
5139 NO4* NC1* gb_20
5140 NC1* NN1 gb_23
5141 NC1* NC2* gb_26
5142 NN1 NC6 gb_17
5143 NN1 NC2 gb_17
5144 NC6 NC5 gb_16
5145 NC2 NC3 gb_16
5146 NC3 NC4 gb_15
5147 NC3 NC7 gb_27
5148 NC4 NC5 gb_15
5149 NC7 NO7 gb_5
5150 NC7 NN7 gb_9
5151 NN7 NH71 gb_2
5152 NN7 NH72 gb_2
5153 NC2* NO2* gb_20
5154 NC2* NC3* gb_26
5155 NO2* NH2* gb_1
5156 NC3* NO3* gb_20
5157 NO3* NH3* gb_1
5158 [ exclusions ]
5159 ; ai aj
5160 AC1* AN3
5161 AC1* AC5
5162 AC1* AN7
5163 AN9 AC2
5164 AN9 AC6
5165 AC4 AN1
5166 AC4 AN6
5167 AN3 AC6
5168 AN3 AN7
5169 AN3 AC8
5170 AC2 AN6
5171 AC2 AC5
5172 AN1 AN7
5173 AC6 AC8
5174 AN6 AN7
5175 NC1* NC3
5176 NC1* NC5
5177 NN1 NC4
5178 NN1 NC7
5179 NC6 NC3
5180 NC2 NC5
5181 NC5 NC7
5182 [ angles ]
5183 ; ai aj ak gromos type
5184 AO1P AP AO2P ga_29
5185 AO1P AP AO5* ga_14
5186 AO1P AP O3P ga_14
5187 AO2P AP AO5* ga_14
5188 AO2P AP O3P ga_14
5189 AO5* AP O3P ga_5
5190 AP AO5* AC5* ga_26
5191 AP O3P NP ga_26
5192 O3P NP NO1P ga_14
5193 O3P NP NO2P ga_14
5194 O3P NP NO5* ga_5
5195 NO1P NP NO2P ga_29
5196 NO1P NP NO5* ga_14
5197 NO2P NP NO5* ga_14
5198 NP NO5* NC5* ga_26
5199 AO5* AC5* AC4* ga_9
5200 AC5* AC4* AO4* ga_9
5201 AC5* AC4* AC3* ga_8
5202 AO4* AC4* AC3* ga_9
5203 AC4* AO4* AC1* ga_10
5204 AO4* AC1* AN9 ga_9
5205 AO4* AC1* AC2* ga_9
5206 AN9 AC1* AC2* ga_9
5207 AC1* AN9 AC4 ga_37
5208 AC1* AN9 AC8 ga_37
5209 AC4 AN9 AC8 ga_7
5210 AN9 AC4 AN3 ga_39
5211 AN9 AC4 AC5 ga_7
5212 AN3 AC4 AC5 ga_27
5213 AC4 AN3 AC2 ga_27
5214 AN3 AC2 AN1 ga_27
5215 AC2 AN1 AC6 ga_27
5216 AN1 AC6 AN6 ga_27
5217 AN1 AC6 AC5 ga_27
5218 AN6 AC6 AC5 ga_27
5219 AC6 AN6 AH61 ga_23
5220 AC6 AN6 AH62 ga_23
5221 AH61 AN6 AH62 ga_24
5222 AC4 AC5 AC6 ga_27
5223 AC4 AC5 AN7 ga_7
5224 AC6 AC5 AN7 ga_39
5225 AC5 AN7 AC8 ga_7
5226 AN9 AC8 AN7 ga_7
5227 AC1* AC2* AO2* ga_9
5228 AC1* AC2* AC3* ga_8
5229 AO2* AC2* AC3* ga_9
5230 AC2* AO2* AH2* ga_12
5231 AC4* AC3* AC2* ga_8
5232 AC4* AC3* AO3* ga_9
5233 AC2* AC3* AO3* ga_9
5234 AC3* AO3* AH3* ga_12
5235 NO5* NC5* NC4* ga_9
5236 NC5* NC4* NO4* ga_9
5237 NC5* NC4* NC3* ga_8
5238 NO4* NC4* NC3* ga_9
5239 NC4* NO4* NC1* ga_10
5240 NO4* NC1* NN1 ga_9
5241 NO4* NC1* NC2* ga_9
5242 NN1 NC1* NC2* ga_8
5243 NC1* NN1 NC6 ga_27
5244 NC1* NN1 NC2 ga_27
5245 NC6 NN1 NC2 ga_27
5246 NN1 NC6 NC5 ga_27
5247 NN1 NC2 NC3 ga_27
5248 NC2 NC3 NC4 ga_27
5249 NC2 NC3 NC7 ga_27
5250 NC4 NC3 NC7 ga_27
5251 NC3 NC4 NC5 ga_27
5252 NC6 NC5 NC4 ga_27
5253 NC3 NC7 NO7 ga_30
5254 NC3 NC7 NN7 ga_19
5255 NO7 NC7 NN7 ga_33
5256 NC7 NN7 NH71 ga_23
5257 NC7 NN7 NH72 ga_23
5258 NH71 NN7 NH72 ga_24
5259 NC1* NC2* NO2* ga_9
5260 NC1* NC2* NC3* ga_8
5261 NO2* NC2* NC3* ga_9
5262 NC2* NO2* NH2* ga_12
5263 NC4* NC3* NC2* ga_8
5264 NC4* NC3* NO3* ga_9
5265 NC2* NC3* NO3* ga_9
5266 NC3* NO3* NH3* ga_12
5267 [ impropers ]
5268 ; ai aj ak al gromos type
5269 AC1* AC4 AC8 AN9 gi_1
5270 AN9 AC4 AC5 AN7 gi_1
5271 AC4 AN9 AN3 AC5 gi_1
5272 AC4 AN9 AC8 AN7 gi_1
5273 AC4 AN3 AC2 AN1 gi_1
5274 AC4 AC5 AN7 AC8 gi_1
5275 AN3 AC4 AC5 AC6 gi_1
5276 AN3 AC2 AN1 AC6 gi_1
5277 AC2 AN1 AC6 AC5 gi_1
5278 AN1 AC6 AC5 AC4 gi_1
5279 AN6 AN1 AC5 AC6 gi_1
5280 AN6 AH61 AH62 AC6 gi_1
5281 AC5 AC4 AN3 AC2 gi_1
5282 AC5 AC6 AN7 AC4 gi_1
5283 AC5 AN7 AC8 AN9 gi_1
5284 AC8 AN9 AC4 AC5 gi_1
5285 AC2* AO4* AN9 AC1* gi_2
5286 AC2* AO2* AC3* AC1* gi_2
5287 AC3* AC5* AO4* AC4* gi_2
5288 AC3* AC2* AO3* AC4* gi_2
5289 NN1 NC6 NC2 NC1* gi_1
5290 NN1 NC6 NC5 NC4 gi_1
5291 NN1 NC2 NC3 NC4 gi_1
5292 NC6 NN1 NC2 NC3 gi_1
5293 NC2 NN1 NC6 NC5 gi_1
5294 NC2 NC3 NC4 NC5 gi_1
5295 NC3 NC4 NC5 NC6 gi_1
5296 NC7 NC2 NC4 NC3 gi_1
5297 NC7 NO7 NN7 NC3 gi_1
5298 NN7 NH71 NH72 NC7 gi_1
5299 NC2* NO4* NN1 NC1* gi_2
5300 NC2* NO2* NC3* NC1* gi_2
5301 NC3* NC5* NO4* NC4* gi_2
5302 NC3* NC2* NO3* NC4* gi_2
5303 [ dihedrals ]
5304 ; ai aj ak al gromos type
5305 O3P AP AO5* AC5* gd_19
5306 O3P AP AO5* AC5* gd_22
5307 AO5* AP O3P NP gd_19
5308 AO5* AP O3P NP gd_22
5309 AP AO5* AC5* AC4* gd_29
5310 AP O3P NP NO5* gd_19
5311 AP O3P NP NO5* gd_22
5312 O3P NP NO5* NC5* gd_19
5313 O3P NP NO5* NC5* gd_22
5314 NP NO5* NC5* NC4* gd_29
5315 AO5* AC5* AC4* AO4* gd_18
5316 AO5* AC5* AC4* AC3* gd_17
5317 AO5* AC5* AC4* AC3* gd_34
5318 AC3* AC4* AO4* AC1* gd_29
5319 AC5* AC4* AC3* AC2* gd_34
5320 AC5* AC4* AC3* AO3* gd_17
5321 AO4* AC4* AC3* AC2* gd_17
5322 AO4* AC4* AC3* AO3* gd_18
5323 AC4* AO4* AC1* AC2* gd_29
5324 AO4* AC1* AN9 AC4 gd_16
5325 AO4* AC1* AC2* AO2* gd_18
5326 AO4* AC1* AC2* AC3* gd_17
5327 AO4* AC1* AC2* AC3* gd_34
5328 AN9 AC1* AC2* AO2* gd_17
5329 AC5 AC6 AN6 AH61 gd_14
5330 AC1* AC2* AO2* AH2* gd_23
5331 AC1* AC2* AC3* AC4* gd_34
5332 AC1* AC2* AC3* AO3* gd_17
5333 AO2* AC2* AC3* AC4* gd_17
5334 AO2* AC2* AC3* AO3* gd_18
5335 AC4* AC3* AO3* AH3* gd_23
5336 NO5* NC5* NC4* NO4* gd_18
5337 NO5* NC5* NC4* NC3* gd_17
5338 NO5* NC5* NC4* NC3* gd_34
5339 NC3* NC4* NO4* NC1* gd_29
5340 NC5* NC4* NC3* NC2* gd_34
5341 NC5* NC4* NC3* NO3* gd_17
5342 NO4* NC4* NC3* NC2* gd_17
5343 NO4* NC4* NC3* NO3* gd_18
5344 NC4* NO4* NC1* NC2* gd_29
5345 NO4* NC1* NN1 NC2 gd_16
5346 NO4* NC1* NC2* NO2* gd_18
5347 NO4* NC1* NC2* NC3* gd_17
5348 NO4* NC1* NC2* NC3* gd_34
5349 NN1 NC1* NC2* NO2* gd_17
5350 NC2 NC3 NC7 NN7 gd_10
5351 NC3 NC7 NN7 NH71 gd_14
5352 NC1* NC2* NO2* NH2* gd_23
5353 NC1* NC2* NC3* NC4* gd_34
5354 NC1* NC2* NC3* NO3* gd_17
5355 NO2* NC2* NC3* NC4* gd_17
5356 NO2* NC2* NC3* NO3* gd_18
5357 NC4* NC3* NO3* NH3* gd_23
5359 [ NDPH ]
5360 [ atoms ]
5361 AP P 0.76000 0
5362 AO1P OM -0.63500 0
5363 AO2P OM -0.63500 0
5364 AO5* OA -0.36000 0
5365 O3P OA -0.26000 1
5366 NP P 0.76000 1
5367 NO1P OM -0.63500 1
5368 NO2P OM -0.63500 1
5369 NO5* OA -0.36000 1
5370 AC5* CH2 0.00000 2
5371 AC4* CH1 0.16000 3
5372 AO4* OA -0.36000 3
5373 AC1* CH1 0.20000 3
5374 AN9 NR -0.20000 4
5375 AC4 C 0.20000 4
5376 AN3 NR -0.36000 5
5377 AC2 CR1 0.36000 5
5378 AN1 NR -0.36000 6
5379 AC6 C 0.36000 6
5380 AN6 NT -0.83000 7
5381 AH61 H 0.41500 7
5382 AH62 H 0.41500 7
5383 AC5 C 0.00000 8
5384 AN7 NR -0.36000 8
5385 AC8 CR1 0.36000 8
5386 AC2* CH1 0.15000 9
5387 AO2* OA -0.36000 9
5388 AP2* P 0.63000 9
5389 AO6* OM -0.63500 9
5390 AO7* OM -0.63500 9
5391 AO8* OA -0.54800 9
5392 AH8* H 0.39800 9
5393 AC3* CH1 0.15000 10
5394 AO3* OA -0.54800 10
5395 AH3* H 0.39800 10
5396 NC5* CH2 0.00000 11
5397 NC4* CH1 0.16000 12
5398 NO4* OA -0.36000 12
5399 NC1* CH1 0.20000 12
5400 NN1 NR -0.20000 13
5401 NC6 CR1 0.20000 13
5402 NC2 CR1 0.00000 13
5403 NC3 C 0.00000 13
5404 NC4 CH2 0.00000 13
5405 NC5 CR1 0.00000 13
5406 NC7 C 0.38000 14
5407 NO7 O -0.38000 14
5408 NN7 NT -0.83000 15
5409 NH71 H 0.41500 15
5410 NH72 H 0.41500 15
5411 NC2* CH1 0.15000 16
5412 NO2* OA -0.54800 16
5413 NH2* H 0.39800 16
5414 NC3* CH1 0.15000 17
5415 NO3* OA -0.54800 17
5416 NH3* H 0.39800 17
5417 [ bonds ]
5418 AP AO1P gb_24
5419 AP AO2P gb_24
5420 AP AO5* gb_28
5421 AP O3P gb_28
5422 AO5* AC5* gb_20
5423 O3P NP gb_28
5424 NP NO1P gb_24
5425 NP NO2P gb_24
5426 NP NO5* gb_28
5427 NO5* NC5* gb_20
5428 AC5* AC4* gb_26
5429 AC4* AO4* gb_20
5430 AC4* AC3* gb_26
5431 AO4* AC1* gb_20
5432 AC1* AN9 gb_22
5433 AC1* AC2* gb_26
5434 AN9 AC4 gb_10
5435 AN9 AC8 gb_10
5436 AC4 AN3 gb_12
5437 AC4 AC5 gb_16
5438 AN3 AC2 gb_7
5439 AC2 AN1 gb_7
5440 AN1 AC6 gb_12
5441 AC6 AN6 gb_9
5442 AC6 AC5 gb_16
5443 AN6 AH61 gb_2
5444 AN6 AH62 gb_2
5445 AC5 AN7 gb_10
5446 AN7 AC8 gb_10
5447 AC2* AO2* gb_20
5448 AC2* AC3* gb_26
5449 AO2* AP2* gb_28
5450 AP2* AO6* gb_24
5451 AP2* AO7* gb_24
5452 AP2* AO8* gb_28
5453 AO8* AH8* gb_1
5454 AC3* AO3* gb_20
5455 AO3* AH3* gb_1
5456 NC5* NC4* gb_26
5457 NC4* NO4* gb_20
5458 NC4* NC3* gb_26
5459 NO4* NC1* gb_20
5460 NC1* NN1 gb_23
5461 NC1* NC2* gb_26
5462 NN1 NC6 gb_17
5463 NN1 NC2 gb_17
5464 NC6 NC5 gb_16
5465 NC2 NC3 gb_16
5466 NC3 NC4 gb_15
5467 NC3 NC7 gb_27
5468 NC4 NC5 gb_15
5469 NC7 NO7 gb_5
5470 NC7 NN7 gb_9
5471 NN7 NH71 gb_2
5472 NN7 NH72 gb_2
5473 NC2* NO2* gb_20
5474 NC2* NC3* gb_26
5475 NO2* NH2* gb_1
5476 NC3* NO3* gb_20
5477 NO3* NH3* gb_1
5478 [ exclusions ]
5479 ; ai aj
5480 AC1* AN3
5481 AC1* AC5
5482 AC1* AN7
5483 AN9 AC2
5484 AN9 AC6
5485 AC4 AN1
5486 AC4 AN6
5487 AN3 AC6
5488 AN3 AN7
5489 AN3 AC8
5490 AC2 AN6
5491 AC2 AC5
5492 AN1 AN7
5493 AC6 AC8
5494 AN6 AN7
5495 AO2* AH8*
5496 AO6* AH8*
5497 AO7* AH8*
5498 NC1* NC3
5499 NC1* NC5
5500 NN1 NC4
5501 NN1 NC7
5502 NC6 NC3
5503 NC2 NC5
5504 NC5 NC7
5505 [ angles ]
5506 ; ai aj ak gromos type
5507 AO1P AP AO2P ga_29
5508 AO1P AP AO5* ga_14
5509 AO1P AP O3P ga_14
5510 AO2P AP AO5* ga_14
5511 AO2P AP O3P ga_14
5512 AO5* AP O3P ga_5
5513 AP AO5* AC5* ga_26
5514 AP O3P NP ga_26
5515 O3P NP NO1P ga_14
5516 O3P NP NO2P ga_14
5517 O3P NP NO5* ga_5
5518 NO1P NP NO2P ga_29
5519 NO1P NP NO5* ga_14
5520 NO2P NP NO5* ga_14
5521 NP NO5* NC5* ga_26
5522 AO5* AC5* AC4* ga_9
5523 AC5* AC4* AO4* ga_9
5524 AC5* AC4* AC3* ga_8
5525 AO4* AC4* AC3* ga_9
5526 AC4* AO4* AC1* ga_10
5527 AO4* AC1* AN9 ga_9
5528 AO4* AC1* AC2* ga_9
5529 AN9 AC1* AC2* ga_9
5530 AC1* AN9 AC4 ga_37
5531 AC1* AN9 AC8 ga_37
5532 AC4 AN9 AC8 ga_7
5533 AN9 AC4 AN3 ga_39
5534 AN9 AC4 AC5 ga_7
5535 AN3 AC4 AC5 ga_27
5536 AC4 AN3 AC2 ga_27
5537 AN3 AC2 AN1 ga_27
5538 AC2 AN1 AC6 ga_27
5539 AN1 AC6 AN6 ga_27
5540 AN1 AC6 AC5 ga_27
5541 AN6 AC6 AC5 ga_27
5542 AC6 AN6 AH61 ga_23
5543 AC6 AN6 AH62 ga_23
5544 AH61 AN6 AH62 ga_24
5545 AC4 AC5 AC6 ga_27
5546 AC4 AC5 AN7 ga_7
5547 AC6 AC5 AN7 ga_39
5548 AC5 AN7 AC8 ga_7
5549 AN9 AC8 AN7 ga_7
5550 AC1* AC2* AO2* ga_9
5551 AC1* AC2* AC3* ga_8
5552 AO2* AC2* AC3* ga_9
5553 AC2* AO2* AP2* ga_26
5554 AO2* AP2* AO6* ga_14
5555 AO2* AP2* AO7* ga_14
5556 AO2* AP2* AO8* ga_5
5557 AO6* AP2* AO7* ga_29
5558 AO6* AP2* AO8* ga_14
5559 AO7* AP2* AO8* ga_14
5560 AP2* AO8* AH8* ga_12
5561 AC4* AC3* AC2* ga_8
5562 AC4* AC3* AO3* ga_9
5563 AC2* AC3* AO3* ga_9
5564 AC3* AO3* AH3* ga_12
5565 NO5* NC5* NC4* ga_9
5566 NC5* NC4* NO4* ga_9
5567 NC5* NC4* NC3* ga_8
5568 NO4* NC4* NC3* ga_9
5569 NC4* NO4* NC1* ga_10
5570 NO4* NC1* NN1 ga_9
5571 NO4* NC1* NC2* ga_9
5572 NN1 NC1* NC2* ga_8
5573 NC1* NN1 NC6 ga_27
5574 NC1* NN1 NC2 ga_27
5575 NC6 NN1 NC2 ga_27
5576 NN1 NC6 NC5 ga_27
5577 NN1 NC2 NC3 ga_27
5578 NC2 NC3 NC4 ga_27
5579 NC2 NC3 NC7 ga_27
5580 NC4 NC3 NC7 ga_27
5581 NC3 NC4 NC5 ga_27
5582 NC6 NC5 NC4 ga_27
5583 NC3 NC7 NO7 ga_30
5584 NC3 NC7 NN7 ga_19
5585 NO7 NC7 NN7 ga_33
5586 NC7 NN7 NH71 ga_23
5587 NC7 NN7 NH72 ga_23
5588 NH71 NN7 NH72 ga_24
5589 NC1* NC2* NO2* ga_9
5590 NC1* NC2* NC3* ga_8
5591 NO2* NC2* NC3* ga_9
5592 NC2* NO2* NH2* ga_12
5593 NC4* NC3* NC2* ga_8
5594 NC4* NC3* NO3* ga_9
5595 NC2* NC3* NO3* ga_9
5596 NC3* NO3* NH3* ga_12
5597 [ impropers ]
5598 ; ai aj ak al gromos type
5599 AC1* AC4 AC8 AN9 gi_1
5600 AN9 AC4 AC5 AN7 gi_1
5601 AC4 AN9 AN3 AC5 gi_1
5602 AC4 AN9 AC8 AN7 gi_1
5603 AC4 AN3 AC2 AN1 gi_1
5604 AC4 AC5 AN7 AC8 gi_1
5605 AN3 AC4 AC5 AC6 gi_1
5606 AN3 AC2 AN1 AC6 gi_1
5607 AC2 AN1 AC6 AC5 gi_1
5608 AN1 AC6 AC5 AC4 gi_1
5609 AN6 AN1 AC5 AC6 gi_1
5610 AN6 AH61 AH62 AC6 gi_1
5611 AC5 AC4 AN3 AC2 gi_1
5612 AC5 AC6 AN7 AC4 gi_1
5613 AC5 AN7 AC8 AN9 gi_1
5614 AC8 AN9 AC4 AC5 gi_1
5615 AC2* AO4* AN9 AC1* gi_2
5616 AC2* AO2* AC3* AC1* gi_2
5617 AC3* AC5* AO4* AC4* gi_2
5618 AC3* AC2* AO3* AC4* gi_2
5619 NN1 NC6 NC2 NC1* gi_1
5620 NN1 NC6 NC5 NC4 gi_1
5621 NN1 NC2 NC3 NC4 gi_1
5622 NC6 NN1 NC2 NC3 gi_1
5623 NC2 NN1 NC6 NC5 gi_1
5624 NC2 NC3 NC4 NC5 gi_1
5625 NC3 NC4 NC5 NC6 gi_1
5626 NC7 NC2 NC4 NC3 gi_1
5627 NC7 NO7 NN7 NC3 gi_1
5628 NN7 NH71 NH72 NC7 gi_1
5629 NC2* NO4* NN1 NC1* gi_2
5630 NC2* NO2* NC3* NC1* gi_2
5631 NC3* NC5* NO4* NC4* gi_2
5632 NC3* NC2* NO3* NC4* gi_2
5633 [ dihedrals ]
5634 ; ai aj ak al gromos type
5635 O3P AP AO5* AC5* gd_19
5636 O3P AP AO5* AC5* gd_22
5637 AO5* AP O3P NP gd_19
5638 AO5* AP O3P NP gd_22
5639 AP AO5* AC5* AC4* gd_29
5640 AP O3P NP NO5* gd_19
5641 AP O3P NP NO5* gd_22
5642 O3P NP NO5* NC5* gd_19
5643 O3P NP NO5* NC5* gd_22
5644 NP NO5* NC5* NC4* gd_29
5645 AO5* AC5* AC4* AO4* gd_18
5646 AO5* AC5* AC4* AC3* gd_17
5647 AO5* AC5* AC4* AC3* gd_34
5648 AC3* AC4* AO4* AC1* gd_29
5649 AC5* AC4* AC3* AC2* gd_34
5650 AC5* AC4* AC3* AO3* gd_17
5651 AO4* AC4* AC3* AC2* gd_17
5652 AO4* AC4* AC3* AO3* gd_18
5653 AC4* AO4* AC1* AC2* gd_29
5654 AO4* AC1* AN9 AC4 gd_16
5655 AO4* AC1* AC2* AO2* gd_18
5656 AO4* AC1* AC2* AC3* gd_17
5657 AO4* AC1* AC2* AC3* gd_34
5658 AN9 AC1* AC2* AO2* gd_17
5659 AC5 AC6 AN6 AH61 gd_14
5660 AC1* AC2* AO2* AP2* gd_23
5661 AC1* AC2* AC3* AC4* gd_34
5662 AC1* AC2* AC3* AO3* gd_17
5663 AO2* AC2* AC3* AC4* gd_17
5664 AO2* AC2* AC3* AO3* gd_18
5665 AC2* AO2* AP2* AO8* gd_19
5666 AC2* AO2* AP2* AO8* gd_22
5667 AO2* AP2* AO8* AH8* gd_19
5668 AO2* AP2* AO8* AH8* gd_22
5669 AC4* AC3* AO3* AH3* gd_23
5670 NO5* NC5* NC4* NO4* gd_18
5671 NO5* NC5* NC4* NC3* gd_17
5672 NO5* NC5* NC4* NC3* gd_34
5673 NC3* NC4* NO4* NC1* gd_29
5674 NC5* NC4* NC3* NC2* gd_34
5675 NC5* NC4* NC3* NO3* gd_17
5676 NO4* NC4* NC3* NC2* gd_17
5677 NO4* NC4* NC3* NO3* gd_18
5678 NC4* NO4* NC1* NC2* gd_29
5679 NO4* NC1* NN1 NC2 gd_16
5680 NO4* NC1* NC2* NO2* gd_18
5681 NO4* NC1* NC2* NC3* gd_17
5682 NO4* NC1* NC2* NC3* gd_34
5683 NN1 NC1* NC2* NO2* gd_17
5684 NC2 NC3 NC7 NN7 gd_10
5685 NC3 NC7 NN7 NH71 gd_14
5686 NC1* NC2* NO2* NH2* gd_23
5687 NC1* NC2* NC3* NC4* gd_34
5688 NC1* NC2* NC3* NO3* gd_17
5689 NO2* NC2* NC3* NC4* gd_17
5690 NO2* NC2* NC3* NO3* gd_18
5691 NC4* NC3* NO3* NH3* gd_23
5693 [ NDPP ]
5694 [ atoms ]
5695 AP P 0.76000 0
5696 AO1P OM -0.63500 0
5697 AO2P OM -0.63500 0
5698 AO5* OA -0.36000 0
5699 O3P OA -0.26000 1
5700 NP P 0.76000 1
5701 NO1P OM -0.63500 1
5702 NO2P OM -0.63500 1
5703 NO5* OA -0.36000 1
5704 AC5* CH2 0.00000 2
5705 AC4* CH1 0.16000 3
5706 AO4* OA -0.36000 3
5707 AC1* CH1 0.20000 3
5708 AN9 NR -0.20000 4
5709 AC4 C 0.20000 4
5710 AN3 NR -0.36000 5
5711 AC2 CR1 0.36000 5
5712 AN1 NR -0.36000 6
5713 AC6 C 0.36000 6
5714 AN6 NT -0.83000 7
5715 AH61 H 0.41500 7
5716 AH62 H 0.41500 7
5717 AC5 C 0.00000 8
5718 AN7 NR -0.36000 8
5719 AC8 CR1 0.36000 8
5720 AC2* CH1 0.15000 9
5721 AO2* OA -0.36000 9
5722 AP2* P 0.63000 9
5723 AO6* OM -0.63500 9
5724 AO7* OM -0.63500 9
5725 AO8* OA -0.54800 9
5726 AH8* H 0.39800 9
5727 AC3* CH1 0.15000 10
5728 AO3* OA -0.54800 10
5729 AH3* H 0.39800 10
5730 NC5* CH2 0.00000 11
5731 NC4* CH1 0.16000 12
5732 NO4* OA -0.36000 12
5733 NC1* CH1 0.20000 12
5734 NN1 NR 0.10000 13
5735 NC6 CR1 0.30000 13
5736 NC2 CR1 0.25000 13
5737 NC3 C 0.00000 13
5738 NC4 CR1 0.25000 13
5739 NC5 CR1 0.10000 13
5740 NC7 C 0.38000 14
5741 NO7 O -0.38000 14
5742 NN7 NT -0.83000 15
5743 NH71 H 0.41500 15
5744 NH72 H 0.41500 15
5745 NC2* CH1 0.15000 16
5746 NO2* OA -0.54800 16
5747 NH2* H 0.39800 16
5748 NC3* CH1 0.15000 17
5749 NO3* OA -0.54800 17
5750 NH3* H 0.39800 17
5751 [ bonds ]
5752 AP AO1P gb_24
5753 AP AO2P gb_24
5754 AP AO5* gb_28
5755 AP O3P gb_28
5756 AO5* AC5* gb_20
5757 O3P NP gb_28
5758 NP NO1P gb_24
5759 NP NO2P gb_24
5760 NP NO5* gb_28
5761 NO5* NC5* gb_20
5762 AC5* AC4* gb_26
5763 AC4* AO4* gb_20
5764 AC4* AC3* gb_26
5765 AO4* AC1* gb_20
5766 AC1* AN9 gb_22
5767 AC1* AC2* gb_26
5768 AN9 AC4 gb_10
5769 AN9 AC8 gb_10
5770 AC4 AN3 gb_12
5771 AC4 AC5 gb_16
5772 AN3 AC2 gb_7
5773 AC2 AN1 gb_7
5774 AN1 AC6 gb_12
5775 AC6 AN6 gb_9
5776 AC6 AC5 gb_16
5777 AN6 AH61 gb_2
5778 AN6 AH62 gb_2
5779 AC5 AN7 gb_10
5780 AN7 AC8 gb_10
5781 AC2* AO2* gb_20
5782 AC2* AC3* gb_26
5783 AO2* AP2* gb_28
5784 AP2* AO6* gb_24
5785 AP2* AO7* gb_24
5786 AP2* AO8* gb_28
5787 AO8* AH8* gb_1
5788 AC3* AO3* gb_20
5789 AO3* AH3* gb_1
5790 NC5* NC4* gb_26
5791 NC4* NO4* gb_20
5792 NC4* NC3* gb_26
5793 NO4* NC1* gb_20
5794 NC1* NN1 gb_23
5795 NC1* NC2* gb_26
5796 NN1 NC6 gb_17
5797 NN1 NC2 gb_17
5798 NC6 NC5 gb_16
5799 NC2 NC3 gb_16
5800 NC3 NC4 gb_16
5801 NC3 NC7 gb_27
5802 NC4 NC5 gb_16
5803 NC7 NO7 gb_5
5804 NC7 NN7 gb_9
5805 NN7 NH71 gb_2
5806 NN7 NH72 gb_2
5807 NC2* NO2* gb_20
5808 NC2* NC3* gb_26
5809 NO2* NH2* gb_1
5810 NC3* NO3* gb_20
5811 NO3* NH3* gb_1
5812 [ exclusions ]
5813 ; ai aj
5814 AC1* AN3
5815 AC1* AC5
5816 AC1* AN7
5817 AN9 AC2
5818 AN9 AC6
5819 AC4 AN1
5820 AC4 AN6
5821 AN3 AC6
5822 AN3 AN7
5823 AN3 AC8
5824 AC2 AN6
5825 AC2 AC5
5826 AN1 AN7
5827 AC6 AC8
5828 AN6 AN7
5829 AO2* AH8*
5830 AO6* AH8*
5831 AO7* AH8*
5832 NC1* NC3
5833 NC1* NC5
5834 NN1 NC4
5835 NN1 NC7
5836 NC6 NC3
5837 NC2 NC5
5838 NC5 NC7
5839 [ angles ]
5840 ; ai aj ak gromos type
5841 AO1P AP AO2P ga_29
5842 AO1P AP AO5* ga_14
5843 AO1P AP O3P ga_14
5844 AO2P AP AO5* ga_14
5845 AO2P AP O3P ga_14
5846 AO5* AP O3P ga_5
5847 AP AO5* AC5* ga_26
5848 AP O3P NP ga_26
5849 O3P NP NO1P ga_14
5850 O3P NP NO2P ga_14
5851 O3P NP NO5* ga_5
5852 NO1P NP NO2P ga_29
5853 NO1P NP NO5* ga_14
5854 NO2P NP NO5* ga_14
5855 NP NO5* NC5* ga_26
5856 AO5* AC5* AC4* ga_9
5857 AC5* AC4* AO4* ga_9
5858 AC5* AC4* AC3* ga_8
5859 AO4* AC4* AC3* ga_9
5860 AC4* AO4* AC1* ga_10
5861 AO4* AC1* AN9 ga_9
5862 AO4* AC1* AC2* ga_9
5863 AN9 AC1* AC2* ga_9
5864 AC1* AN9 AC4 ga_37
5865 AC1* AN9 AC8 ga_37
5866 AC4 AN9 AC8 ga_7
5867 AN9 AC4 AN3 ga_39
5868 AN9 AC4 AC5 ga_7
5869 AN3 AC4 AC5 ga_27
5870 AC4 AN3 AC2 ga_27
5871 AN3 AC2 AN1 ga_27
5872 AC2 AN1 AC6 ga_27
5873 AN1 AC6 AN6 ga_27
5874 AN1 AC6 AC5 ga_27
5875 AN6 AC6 AC5 ga_27
5876 AC6 AN6 AH61 ga_23
5877 AC6 AN6 AH62 ga_23
5878 AH61 AN6 AH62 ga_24
5879 AC4 AC5 AC6 ga_27
5880 AC4 AC5 AN7 ga_7
5881 AC6 AC5 AN7 ga_39
5882 AC5 AN7 AC8 ga_7
5883 AN9 AC8 AN7 ga_7
5884 AC1* AC2* AO2* ga_9
5885 AC1* AC2* AC3* ga_8
5886 AO2* AC2* AC3* ga_9
5887 AC2* AO2* AP2* ga_26
5888 AO2* AP2* AO6* ga_14
5889 AO2* AP2* AO7* ga_14
5890 AO2* AP2* AO8* ga_5
5891 AO6* AP2* AO7* ga_29
5892 AO6* AP2* AO8* ga_14
5893 AO7* AP2* AO8* ga_14
5894 AP2* AO8* AH8* ga_12
5895 AC4* AC3* AC2* ga_8
5896 AC4* AC3* AO3* ga_9
5897 AC2* AC3* AO3* ga_9
5898 AC3* AO3* AH3* ga_12
5899 NO5* NC5* NC4* ga_9
5900 NC5* NC4* NO4* ga_9
5901 NC5* NC4* NC3* ga_8
5902 NO4* NC4* NC3* ga_9
5903 NC4* NO4* NC1* ga_10
5904 NO4* NC1* NN1 ga_9
5905 NO4* NC1* NC2* ga_9
5906 NN1 NC1* NC2* ga_8
5907 NC1* NN1 NC6 ga_27
5908 NC1* NN1 NC2 ga_27
5909 NC6 NN1 NC2 ga_27
5910 NN1 NC6 NC5 ga_27
5911 NN1 NC2 NC3 ga_27
5912 NC2 NC3 NC4 ga_27
5913 NC2 NC3 NC7 ga_27
5914 NC4 NC3 NC7 ga_27
5915 NC3 NC4 NC5 ga_27
5916 NC6 NC5 NC4 ga_27
5917 NC3 NC7 NO7 ga_30
5918 NC3 NC7 NN7 ga_19
5919 NO7 NC7 NN7 ga_33
5920 NC7 NN7 NH71 ga_23
5921 NC7 NN7 NH72 ga_23
5922 NH71 NN7 NH72 ga_24
5923 NC1* NC2* NO2* ga_9
5924 NC1* NC2* NC3* ga_8
5925 NO2* NC2* NC3* ga_9
5926 NC2* NO2* NH2* ga_12
5927 NC4* NC3* NC2* ga_8
5928 NC4* NC3* NO3* ga_9
5929 NC2* NC3* NO3* ga_9
5930 NC3* NO3* NH3* ga_12
5931 [ impropers ]
5932 ; ai aj ak al gromos type
5933 AC1* AC4 AC8 AN9 gi_1
5934 AN9 AC4 AC5 AN7 gi_1
5935 AC4 AN9 AN3 AC5 gi_1
5936 AC4 AN9 AC8 AN7 gi_1
5937 AC4 AN3 AC2 AN1 gi_1
5938 AC4 AC5 AN7 AC8 gi_1
5939 AN3 AC4 AC5 AC6 gi_1
5940 AN3 AC2 AN1 AC6 gi_1
5941 AC2 AN1 AC6 AC5 gi_1
5942 AN1 AC6 AC5 AC4 gi_1
5943 AN6 AN1 AC5 AC6 gi_1
5944 AN6 AH61 AH62 AC6 gi_1
5945 AC5 AC4 AN3 AC2 gi_1
5946 AC5 AC6 AN7 AC4 gi_1
5947 AC5 AN7 AC8 AN9 gi_1
5948 AC8 AN9 AC4 AC5 gi_1
5949 AC2* AO4* AN9 AC1* gi_2
5950 AC2* AO2* AC3* AC1* gi_2
5951 AC3* AC5* AO4* AC4* gi_2
5952 AC3* AC2* AO3* AC4* gi_2
5953 NN1 NC6 NC2 NC1* gi_1
5954 NN1 NC6 NC5 NC4 gi_1
5955 NN1 NC2 NC3 NC4 gi_1
5956 NC6 NN1 NC2 NC3 gi_1
5957 NC2 NN1 NC6 NC5 gi_1
5958 NC2 NC3 NC4 NC5 gi_1
5959 NC3 NC4 NC5 NC6 gi_1
5960 NC7 NC2 NC4 NC3 gi_1
5961 NC7 NO7 NN7 NC3 gi_1
5962 NN7 NH71 NH72 NC7 gi_1
5963 NC2* NO4* NN1 NC1* gi_2
5964 NC2* NO2* NC3* NC1* gi_2
5965 NC3* NC5* NO4* NC4* gi_2
5966 NC3* NC2* NO3* NC4* gi_2
5967 [ dihedrals ]
5968 ; ai aj ak al gromos type
5969 O3P AP AO5* AC5* gd_19
5970 O3P AP AO5* AC5* gd_22
5971 AO5* AP O3P NP gd_19
5972 AO5* AP O3P NP gd_22
5973 AP AO5* AC5* AC4* gd_29
5974 AP O3P NP NO5* gd_19
5975 AP O3P NP NO5* gd_22
5976 O3P NP NO5* NC5* gd_19
5977 O3P NP NO5* NC5* gd_22
5978 NP NO5* NC5* NC4* gd_29
5979 AO5* AC5* AC4* AO4* gd_18
5980 AO5* AC5* AC4* AC3* gd_17
5981 AO5* AC5* AC4* AC3* gd_34
5982 AC3* AC4* AO4* AC1* gd_29
5983 AC5* AC4* AC3* AC2* gd_34
5984 AC5* AC4* AC3* AO3* gd_17
5985 AO4* AC4* AC3* AC2* gd_17
5986 AO4* AC4* AC3* AO3* gd_18
5987 AC4* AO4* AC1* AC2* gd_29
5988 AO4* AC1* AN9 AC4 gd_16
5989 AO4* AC1* AC2* AO2* gd_18
5990 AO4* AC1* AC2* AC3* gd_17
5991 AO4* AC1* AC2* AC3* gd_34
5992 AN9 AC1* AC2* AO2* gd_17
5993 AC5 AC6 AN6 AH61 gd_14
5994 AC1* AC2* AO2* AP2* gd_23
5995 AC1* AC2* AC3* AC4* gd_34
5996 AC1* AC2* AC3* AO3* gd_17
5997 AO2* AC2* AC3* AC4* gd_17
5998 AO2* AC2* AC3* AO3* gd_18
5999 AC2* AO2* AP2* AO8* gd_19
6000 AC2* AO2* AP2* AO8* gd_22
6001 AO2* AP2* AO8* AH8* gd_19
6002 AO2* AP2* AO8* AH8* gd_22
6003 AC4* AC3* AO3* AH3* gd_23
6004 NO5* NC5* NC4* NO4* gd_18
6005 NO5* NC5* NC4* NC3* gd_17
6006 NO5* NC5* NC4* NC3* gd_34
6007 NC3* NC4* NO4* NC1* gd_29
6008 NC5* NC4* NC3* NC2* gd_34
6009 NC5* NC4* NC3* NO3* gd_17
6010 NO4* NC4* NC3* NC2* gd_17
6011 NO4* NC4* NC3* NO3* gd_18
6012 NC4* NO4* NC1* NC2* gd_29
6013 NO4* NC1* NN1 NC2 gd_16
6014 NO4* NC1* NC2* NO2* gd_18
6015 NO4* NC1* NC2* NC3* gd_17
6016 NO4* NC1* NC2* NC3* gd_34
6017 NN1 NC1* NC2* NO2* gd_17
6018 NC2 NC3 NC7 NN7 gd_10
6019 NC3 NC7 NN7 NH71 gd_14
6020 NC1* NC2* NO2* NH2* gd_23
6021 NC1* NC2* NC3* NC4* gd_34
6022 NC1* NC2* NC3* NO3* gd_17
6023 NO2* NC2* NC3* NC4* gd_17
6024 NO2* NC2* NC3* NO3* gd_18
6025 NC4* NC3* NO3* NH3* gd_23
6027 [ NDPHN ]
6028 [ atoms ]
6029 AP P 1.02000 0
6030 AO1P OA -0.54800 0
6031 AH1P H 0.39800 0
6032 AO2P O -0.38000 0
6033 AO5* OA -0.36000 0
6034 O3P OA -0.26000 1
6035 NP P 1.02000 1
6036 NO1P OA -0.54800 1
6037 NH1P H 0.39800 1
6038 NO2P O -0.38000 1
6039 NO5* OA -0.36000 1
6040 AC5* CH2 0.00000 2
6041 AC4* CH1 0.16000 3
6042 AO4* OA -0.36000 3
6043 AC1* CH1 0.20000 3
6044 AN9 NR -0.20000 4
6045 AC4 C 0.20000 4
6046 AN3 NR -0.36000 5
6047 AC2 CR1 0.36000 5
6048 AN1 NR -0.36000 6
6049 AC6 C 0.36000 6
6050 AN6 NT -0.83000 7
6051 AH61 H 0.41500 7
6052 AH62 H 0.41500 7
6053 AC5 C 0.00000 8
6054 AN7 NR -0.36000 8
6055 AC8 CR1 0.36000 8
6056 AC2* CH1 0.15000 9
6057 AO2* OA -0.36000 9
6058 AP2* P 0.89000 9
6059 AO6* O -0.38000 9
6060 AO7* OA -0.54800 9
6061 AH7* H 0.39800 9
6062 AO8* OA -0.54800 9
6063 AH8* H 0.39800 9
6064 AC3* CH1 0.15000 10
6065 AO3* OA -0.54800 10
6066 AH3* H 0.39800 10
6067 NC5* CH2 0.00000 11
6068 NC4* CH1 0.16000 12
6069 NO4* OA -0.36000 12
6070 NC1* CH1 0.20000 12
6071 NN1 NR -0.20000 13
6072 NC6 CR1 0.20000 13
6073 NC2 CR1 0.00000 13
6074 NC3 C 0.00000 13
6075 NC4 CH2 0.00000 13
6076 NC5 CR1 0.00000 13
6077 NC7 C 0.38000 14
6078 NO7 O -0.38000 14
6079 NN7 NT -0.83000 15
6080 NH71 H 0.41500 15
6081 NH72 H 0.41500 15
6082 NC2* CH1 0.15000 16
6083 NO2* OA -0.54800 16
6084 NH2* H 0.39800 16
6085 NC3* CH1 0.15000 17
6086 NO3* OA -0.54800 17
6087 NH3* H 0.39800 17
6088 [ bonds ]
6089 AP AO1P gb_28
6090 AP AO2P gb_24
6091 AP AO5* gb_28
6092 AP O3P gb_28
6093 AO1P AH1P gb_1
6094 AO5* AC5* gb_20
6095 O3P NP gb_28
6096 NP NO1P gb_28
6097 NP NO2P gb_24
6098 NP NO5* gb_28
6099 NO1P NH1P gb_1
6100 NO5* NC5* gb_20
6101 AC5* AC4* gb_26
6102 AC4* AO4* gb_20
6103 AC4* AC3* gb_26
6104 AO4* AC1* gb_20
6105 AC1* AN9 gb_22
6106 AC1* AC2* gb_26
6107 AN9 AC4 gb_10
6108 AN9 AC8 gb_10
6109 AC4 AN3 gb_12
6110 AC4 AC5 gb_16
6111 AN3 AC2 gb_7
6112 AC2 AN1 gb_7
6113 AN1 AC6 gb_12
6114 AC6 AN6 gb_9
6115 AC6 AC5 gb_16
6116 AN6 AH61 gb_2
6117 AN6 AH62 gb_2
6118 AC5 AN7 gb_10
6119 AN7 AC8 gb_10
6120 AC2* AO2* gb_20
6121 AC2* AC3* gb_26
6122 AO2* AP2* gb_28
6123 AP2* AO6* gb_24
6124 AP2* AO7* gb_28
6125 AP2* AO8* gb_28
6126 AO7* AH7* gb_1
6127 AO8* AH8* gb_1
6128 AC3* AO3* gb_20
6129 AO3* AH3* gb_1
6130 NC5* NC4* gb_26
6131 NC4* NO4* gb_20
6132 NC4* NC3* gb_26
6133 NO4* NC1* gb_20
6134 NC1* NN1 gb_23
6135 NC1* NC2* gb_26
6136 NN1 NC6 gb_17
6137 NN1 NC2 gb_17
6138 NC6 NC5 gb_16
6139 NC2 NC3 gb_16
6140 NC3 NC4 gb_15
6141 NC3 NC7 gb_27
6142 NC4 NC5 gb_15
6143 NC7 NO7 gb_5
6144 NC7 NN7 gb_9
6145 NN7 NH71 gb_2
6146 NN7 NH72 gb_2
6147 NC2* NO2* gb_20
6148 NC2* NC3* gb_26
6149 NO2* NH2* gb_1
6150 NC3* NO3* gb_20
6151 NO3* NH3* gb_1
6152 [ exclusions ]
6153 ; ai aj
6154 AH1P AO2P
6155 AH1P AO5*
6156 AH1P O3P
6157 O3P NH1P
6158 NH1P NO2P
6159 NH1P NO5*
6160 AC1* AN3
6161 AC1* AC5
6162 AC1* AN7
6163 AN9 AC2
6164 AN9 AC6
6165 AC4 AN1
6166 AC4 AN6
6167 AN3 AC6
6168 AN3 AN7
6169 AN3 AC8
6170 AC2 AN6
6171 AC2 AC5
6172 AN1 AN7
6173 AC6 AC8
6174 AN6 AN7
6175 AO2* AH7*
6176 AO2* AH8*
6177 AO6* AH7*
6178 AO6* AH8*
6179 AO7* AH8*
6180 AH7* AO8*
6181 AH7* AH8*
6182 NC1* NC3
6183 NC1* NC5
6184 NN1 NC4
6185 NN1 NC7
6186 NC6 NC3
6187 NC2 NC5
6188 NC5 NC7
6189 [ angles ]
6190 ; ai aj ak gromos type
6191 AO1P AP AO2P ga_14
6192 AO1P AP AO5* ga_14
6193 AO1P AP O3P ga_14
6194 AO2P AP AO5* ga_14
6195 AO2P AP O3P ga_14
6196 AO5* AP O3P ga_14
6197 AP AO1P AH1P ga_12
6198 AP AO5* AC5* ga_26
6199 AP O3P NP ga_26
6200 O3P NP NO1P ga_14
6201 O3P NP NO2P ga_14
6202 O3P NP NO5* ga_14
6203 NO1P NP NO2P ga_14
6204 NO1P NP NO5* ga_14
6205 NO2P NP NO5* ga_14
6206 NP NO1P NH1P ga_12
6207 NP NO5* NC5* ga_26
6208 AO5* AC5* AC4* ga_9
6209 AC5* AC4* AO4* ga_9
6210 AC5* AC4* AC3* ga_8
6211 AO4* AC4* AC3* ga_9
6212 AC4* AO4* AC1* ga_10
6213 AO4* AC1* AN9 ga_9
6214 AO4* AC1* AC2* ga_9
6215 AN9 AC1* AC2* ga_9
6216 AC1* AN9 AC4 ga_37
6217 AC1* AN9 AC8 ga_37
6218 AC4 AN9 AC8 ga_7
6219 AN9 AC4 AN3 ga_39
6220 AN9 AC4 AC5 ga_7
6221 AN3 AC4 AC5 ga_27
6222 AC4 AN3 AC2 ga_27
6223 AN3 AC2 AN1 ga_27
6224 AC2 AN1 AC6 ga_27
6225 AN1 AC6 AN6 ga_27
6226 AN1 AC6 AC5 ga_27
6227 AN6 AC6 AC5 ga_27
6228 AC6 AN6 AH61 ga_23
6229 AC6 AN6 AH62 ga_23
6230 AH61 AN6 AH62 ga_24
6231 AC4 AC5 AC6 ga_27
6232 AC4 AC5 AN7 ga_7
6233 AC6 AC5 AN7 ga_39
6234 AC5 AN7 AC8 ga_7
6235 AN9 AC8 AN7 ga_7
6236 AC1* AC2* AO2* ga_9
6237 AC1* AC2* AC3* ga_8
6238 AO2* AC2* AC3* ga_9
6239 AC2* AO2* AP2* ga_26
6240 AO2* AP2* AO6* ga_14
6241 AO2* AP2* AO7* ga_14
6242 AO2* AP2* AO8* ga_14
6243 AO6* AP2* AO7* ga_14
6244 AO6* AP2* AO8* ga_14
6245 AO7* AP2* AO8* ga_14
6246 AP2* AO7* AH7* ga_12
6247 AP2* AO8* AH8* ga_12
6248 AC4* AC3* AC2* ga_8
6249 AC4* AC3* AO3* ga_9
6250 AC2* AC3* AO3* ga_9
6251 AC3* AO3* AH3* ga_12
6252 NO5* NC5* NC4* ga_9
6253 NC5* NC4* NO4* ga_9
6254 NC5* NC4* NC3* ga_8
6255 NO4* NC4* NC3* ga_9
6256 NC4* NO4* NC1* ga_10
6257 NO4* NC1* NN1 ga_9
6258 NO4* NC1* NC2* ga_9
6259 NN1 NC1* NC2* ga_8
6260 NC1* NN1 NC6 ga_27
6261 NC1* NN1 NC2 ga_27
6262 NC6 NN1 NC2 ga_27
6263 NN1 NC6 NC5 ga_27
6264 NN1 NC2 NC3 ga_27
6265 NC2 NC3 NC4 ga_27
6266 NC2 NC3 NC7 ga_27
6267 NC4 NC3 NC7 ga_27
6268 NC3 NC4 NC5 ga_27
6269 NC6 NC5 NC4 ga_27
6270 NC3 NC7 NO7 ga_30
6271 NC3 NC7 NN7 ga_19
6272 NO7 NC7 NN7 ga_33
6273 NC7 NN7 NH71 ga_23
6274 NC7 NN7 NH72 ga_23
6275 NH71 NN7 NH72 ga_24
6276 NC1* NC2* NO2* ga_9
6277 NC1* NC2* NC3* ga_8
6278 NO2* NC2* NC3* ga_9
6279 NC2* NO2* NH2* ga_12
6280 NC4* NC3* NC2* ga_8
6281 NC4* NC3* NO3* ga_9
6282 NC2* NC3* NO3* ga_9
6283 NC3* NO3* NH3* ga_12
6284 [ impropers ]
6285 ; ai aj ak al gromos type
6286 AC1* AC4 AC8 AN9 gi_1
6287 AN9 AC4 AC5 AN7 gi_1
6288 AC4 AN9 AN3 AC5 gi_1
6289 AC4 AN9 AC8 AN7 gi_1
6290 AC4 AN3 AC2 AN1 gi_1
6291 AC4 AC5 AN7 AC8 gi_1
6292 AN3 AC4 AC5 AC6 gi_1
6293 AN3 AC2 AN1 AC6 gi_1
6294 AC2 AN1 AC6 AC5 gi_1
6295 AN1 AC6 AC5 AC4 gi_1
6296 AN6 AN1 AC5 AC6 gi_1
6297 AN6 AH61 AH62 AC6 gi_1
6298 AC5 AC4 AN3 AC2 gi_1
6299 AC5 AC6 AN7 AC4 gi_1
6300 AC5 AN7 AC8 AN9 gi_1
6301 AC8 AN9 AC4 AC5 gi_1
6302 AC2* AO4* AN9 AC1* gi_2
6303 AC2* AO2* AC3* AC1* gi_2
6304 AC3* AC5* AO4* AC4* gi_2
6305 AC3* AC2* AO3* AC4* gi_2
6306 NN1 NC6 NC2 NC1* gi_1
6307 NN1 NC6 NC5 NC4 gi_1
6308 NN1 NC2 NC3 NC4 gi_1
6309 NC6 NN1 NC2 NC3 gi_1
6310 NC2 NN1 NC6 NC5 gi_1
6311 NC2 NC3 NC4 NC5 gi_1
6312 NC3 NC4 NC5 NC6 gi_1
6313 NC7 NC2 NC4 NC3 gi_1
6314 NC7 NO7 NN7 NC3 gi_1
6315 NN7 NH71 NH72 NC7 gi_1
6316 NC2* NO4* NN1 NC1* gi_2
6317 NC2* NO2* NC3* NC1* gi_2
6318 NC3* NC5* NO4* NC4* gi_2
6319 NC3* NC2* NO3* NC4* gi_2
6320 [ dihedrals ]
6321 ; ai aj ak al gromos type
6322 AO5* AP AO1P AH1P gd_19
6323 AO5* AP AO1P AH1P gd_22
6324 O3P AP AO5* AC5* gd_19
6325 O3P AP AO5* AC5* gd_22
6326 AO5* AP O3P NP gd_19
6327 AO5* AP O3P NP gd_22
6328 AP AO5* AC5* AC4* gd_29
6329 AP O3P NP NO5* gd_19
6330 AP O3P NP NO5* gd_22
6331 NO5* NP NO1P NH1P gd_19
6332 NO5* NP NO1P NH1P gd_22
6333 O3P NP NO5* NC5* gd_19
6334 O3P NP NO5* NC5* gd_22
6335 NP NO5* NC5* NC4* gd_29
6336 AO5* AC5* AC4* AO4* gd_18
6337 AO5* AC5* AC4* AC3* gd_17
6338 AO5* AC5* AC4* AC3* gd_34
6339 AC3* AC4* AO4* AC1* gd_29
6340 AC5* AC4* AC3* AC2* gd_34
6341 AC5* AC4* AC3* AO3* gd_17
6342 AO4* AC4* AC3* AC2* gd_17
6343 AO4* AC4* AC3* AO3* gd_18
6344 AC4* AO4* AC1* AC2* gd_29
6345 AO4* AC1* AN9 AC4 gd_16
6346 AO4* AC1* AC2* AO2* gd_18
6347 AO4* AC1* AC2* AC3* gd_17
6348 AO4* AC1* AC2* AC3* gd_34
6349 AN9 AC1* AC2* AO2* gd_17
6350 AC5 AC6 AN6 AH61 gd_14
6351 AC1* AC2* AO2* AP2* gd_23
6352 AC1* AC2* AC3* AC4* gd_34
6353 AC1* AC2* AC3* AO3* gd_17
6354 AO2* AC2* AC3* AC4* gd_17
6355 AO2* AC2* AC3* AO3* gd_18
6356 AC2* AO2* AP2* AO8* gd_19
6357 AC2* AO2* AP2* AO8* gd_22
6358 AO2* AP2* AO7* AH7* gd_19
6359 AO2* AP2* AO7* AH7* gd_22
6360 AO2* AP2* AO8* AH8* gd_19
6361 AO2* AP2* AO8* AH8* gd_22
6362 AC4* AC3* AO3* AH3* gd_23
6363 NO5* NC5* NC4* NO4* gd_18
6364 NO5* NC5* NC4* NC3* gd_17
6365 NO5* NC5* NC4* NC3* gd_34
6366 NC3* NC4* NO4* NC1* gd_29
6367 NC5* NC4* NC3* NC2* gd_34
6368 NC5* NC4* NC3* NO3* gd_17
6369 NO4* NC4* NC3* NC2* gd_17
6370 NO4* NC4* NC3* NO3* gd_18
6371 NC4* NO4* NC1* NC2* gd_29
6372 NO4* NC1* NN1 NC2 gd_16
6373 NO4* NC1* NC2* NO2* gd_18
6374 NO4* NC1* NC2* NC3* gd_17
6375 NO4* NC1* NC2* NC3* gd_34
6376 NN1 NC1* NC2* NO2* gd_17
6377 NC2 NC3 NC7 NN7 gd_10
6378 NC3 NC7 NN7 NH71 gd_14
6379 NC1* NC2* NO2* NH2* gd_23
6380 NC1* NC2* NC3* NC4* gd_34
6381 NC1* NC2* NC3* NO3* gd_17
6382 NO2* NC2* NC3* NC4* gd_17
6383 NO2* NC2* NC3* NO3* gd_18
6384 NC4* NC3* NO3* NH3* gd_23
6386 [ GLCA ]
6387 [ atoms ]
6388 C4 CH1 0.23200 0
6389 C3 CH1 0.23200 1
6390 O3 OA -0.64200 1
6391 HO3 H 0.41000 1
6392 C2 CH1 0.23200 2
6393 O2 OA -0.64200 2
6394 HO2 H 0.41000 2
6395 C6 CH2 0.23200 3
6396 O6 OA -0.64200 3
6397 HO6 H 0.41000 3
6398 C5 CH1 0.37600 4
6399 O5 OA -0.48000 4
6400 C1 CH1 0.232 4
6401 O1 OA -0.360 4
6402 [ bonds ]
6403 C4 C3 gb_26
6404 C4 C5 gb_26
6405 C3 O3 gb_20
6406 C3 C2 gb_26
6407 O3 HO3 gb_1
6408 C2 O2 gb_20
6409 C2 C1 gb_26
6410 O2 HO2 gb_1
6411 C6 O6 gb_20
6412 C6 C5 gb_26
6413 O6 HO6 gb_1
6414 C5 O5 gb_20
6415 O5 C1 gb_20
6416 C1 O1 gb_20
6417 O1 +C4 gb_20
6418 [ angles ]
6419 ; ai aj ak gromos type
6420 -C1 -O1 C4 ga_10
6421 -O1 C4 C3 ga_9
6422 -O1 C4 C5 ga_9
6423 C3 C4 C5 ga_8
6424 C4 C3 O3 ga_9
6425 C4 C3 C2 ga_8
6426 O3 C3 C2 ga_9
6427 C3 O3 HO3 ga_12
6428 C3 C2 O2 ga_9
6429 C3 C2 C1 ga_8
6430 O2 C2 C1 ga_9
6431 C2 O2 HO2 ga_12
6432 O6 C6 C5 ga_9
6433 C6 O6 HO6 ga_12
6434 C4 C5 C6 ga_8
6435 C4 C5 O5 ga_9
6436 C6 C5 O5 ga_9
6437 C5 O5 C1 ga_10
6438 C2 C1 O5 ga_9
6439 C2 C1 O1 ga_9
6440 O5 C1 O1 ga_9
6441 C1 O1 +C4 ga_10
6442 [ impropers ]
6443 ; ai aj ak al gromos type
6444 C4 C6 O5 C5 gi_2
6445 C3 O3 C2 C4 gi_2
6446 C5 -O1 C3 C4 gi_2
6447 C1 C3 O2 C2 gi_2
6448 C1 O5 O1 C2 gi_2
6449 [ dihedrals ]
6450 ; ai aj ak al gromos type
6451 -C1 -O1 C4 C3 gd_30
6452 -O1 C4 C3 O3 gd_18
6453 -O1 C4 C3 C2 gd_17
6454 C5 C4 C3 O3 gd_17
6455 C5 C4 C3 C2 gd_34
6456 -O1 C4 C5 C6 gd_17
6457 C3 C4 C5 C6 gd_34
6458 C3 C4 C5 O5 gd_17
6459 C2 C3 O3 HO3 gd_30
6460 C4 C3 C2 O2 gd_17
6461 C4 C3 C2 C1 gd_34
6462 O3 C3 C2 O2 gd_18
6463 O3 C3 C2 C1 gd_17
6464 C1 C2 O2 HO2 gd_30
6465 C3 C2 C1 O5 gd_17
6466 C3 C2 C1 O1 gd_17
6467 C3 C2 C1 O1 gd_34
6468 O2 C2 C1 O1 gd_18
6469 C5 C6 O6 HO6 gd_30
6470 O6 C6 C5 O5 gd_5
6471 O6 C6 C5 O5 gd_37
6472 C4 C5 O5 C1 gd_29
6473 C5 O5 C1 C2 gd_29
6474 O5 C1 O1 +C4 gd_6
6475 O5 C1 O1 +C4 gd_28
6477 [ GLCB ]
6478 [ atoms ]
6479 C4 CH1 0.23200 0
6480 C3 CH1 0.23200 1
6481 O3 OA -0.64200 1
6482 HO3 H 0.41000 1
6483 C2 CH1 0.23200 2
6484 O2 OA -0.64200 2
6485 HO2 H 0.41000 2
6486 C6 CH2 0.23200 3
6487 O6 OA -0.64200 3
6488 HO6 H 0.41000 3
6489 C5 CH1 0.37600 4
6490 O5 OA -0.48000 4
6491 C1 CH1 0.232 4
6492 O1 OA -0.360 4
6493 [ bonds ]
6494 C4 C3 gb_26
6495 C4 C5 gb_26
6496 C3 O3 gb_20
6497 C3 C2 gb_26
6498 O3 HO3 gb_1
6499 C2 O2 gb_20
6500 C2 C1 gb_26
6501 O2 HO2 gb_1
6502 C6 O6 gb_20
6503 C6 C5 gb_26
6504 O6 HO6 gb_1
6505 C5 O5 gb_20
6506 O5 C1 gb_20
6507 C1 O1 gb_20
6508 O1 +C4 gb_20
6509 [ angles ]
6510 ; ai aj ak gromos type
6511 -C1 -O1 C4 ga_10
6512 -O1 C4 C3 ga_9
6513 -O1 C4 C5 ga_9
6514 C3 C4 C5 ga_8
6515 C4 C3 O3 ga_9
6516 C4 C3 C2 ga_8
6517 O3 C3 C2 ga_9
6518 C3 O3 HO3 ga_12
6519 C3 C2 O2 ga_9
6520 C3 C2 C1 ga_8
6521 O2 C2 C1 ga_9
6522 C2 O2 HO2 ga_12
6523 O6 C6 C5 ga_9
6524 C6 O6 HO6 ga_12
6525 C4 C5 C6 ga_8
6526 C4 C5 O5 ga_9
6527 C6 C5 O5 ga_9
6528 C5 O5 C1 ga_10
6529 C2 C1 O5 ga_9
6530 C2 C1 O1 ga_9
6531 O5 C1 O1 ga_9
6532 C1 O1 +C4 ga_10
6533 [ impropers ]
6534 ; ai aj ak al gromos type
6535 C4 C6 O5 C5 gi_2
6536 C3 O3 C2 C4 gi_2
6537 C2 O5 O1 C1 gi_2
6538 C5 -O1 C3 C4 gi_2
6539 C1 C3 O2 C2 gi_2
6540 [ dihedrals ]
6541 ; ai aj ak al gromos type
6542 -C1 -O1 C4 C3 gd_30
6543 -O1 C4 C3 O3 gd_18
6544 -O1 C4 C3 C2 gd_17
6545 C5 C4 C3 O3 gd_17
6546 C5 C4 C3 C2 gd_34
6547 -O1 C4 C5 C6 gd_17
6548 C3 C4 C5 C6 gd_34
6549 C3 C4 C5 O5 gd_17
6550 C2 C3 O3 HO3 gd_30
6551 C4 C3 C2 O2 gd_17
6552 C4 C3 C2 C1 gd_34
6553 O3 C3 C2 O2 gd_18
6554 O3 C3 C2 C1 gd_17
6555 C1 C2 O2 HO2 gd_30
6556 C3 C2 C1 O5 gd_17
6557 C3 C2 C1 O1 gd_17
6558 C3 C2 C1 O1 gd_34
6559 O2 C2 C1 O1 gd_18
6560 C5 C6 O6 HO6 gd_30
6561 O6 C6 C5 O5 gd_5
6562 O6 C6 C5 O5 gd_37
6563 C4 C5 O5 C1 gd_29
6564 C5 O5 C1 C2 gd_29
6565 O5 C1 O1 +C4 gd_2
6566 O5 C1 O1 +C4 gd_32
6568 [ GALA ]
6569 [ atoms ]
6570 C4 CH1 0.23200 0
6571 C3 CH1 0.23200 1
6572 O3 OA -0.64200 1
6573 HO3 H 0.41000 1
6574 C2 CH1 0.23200 2
6575 O2 OA -0.64200 2
6576 HO2 H 0.41000 2
6577 C6 CH2 0.23200 3
6578 O6 OA -0.64200 3
6579 HO6 H 0.41000 3
6580 C5 CH1 0.37600 4
6581 O5 OA -0.48000 4
6582 C1 CH1 0.232 4
6583 O1 OA -0.360 4
6584 [ bonds ]
6585 C4 C3 gb_26
6586 C4 C5 gb_26
6587 C3 O3 gb_20
6588 C3 C2 gb_26
6589 O3 HO3 gb_1
6590 C2 O2 gb_20
6591 C2 C1 gb_26
6592 O2 HO2 gb_1
6593 C6 O6 gb_20
6594 C6 C5 gb_26
6595 O6 HO6 gb_1
6596 C5 O5 gb_20
6597 O5 C1 gb_20
6598 C1 O1 gb_20
6599 O1 +C4 gb_20
6600 [ angles ]
6601 ; ai aj ak gromos type
6602 -C1 -O1 C4 ga_10
6603 -O1 C4 C3 ga_9
6604 -O1 C4 C5 ga_9
6605 C3 C4 C5 ga_8
6606 C4 C3 O3 ga_9
6607 C4 C3 C2 ga_8
6608 O3 C3 C2 ga_9
6609 C3 O3 HO3 ga_12
6610 C3 C2 O2 ga_9
6611 C3 C2 C1 ga_8
6612 O2 C2 C1 ga_9
6613 C2 O2 HO2 ga_12
6614 O6 C6 C5 ga_9
6615 C6 O6 HO6 ga_12
6616 C4 C5 C6 ga_8
6617 C4 C5 O5 ga_9
6618 C6 C5 O5 ga_9
6619 C5 O5 C1 ga_10
6620 C2 C1 O5 ga_9
6621 C2 C1 O1 ga_9
6622 O5 C1 O1 ga_9
6623 C1 O1 +C4 ga_10
6624 [ impropers ]
6625 ; ai aj ak al gromos type
6626 C4 -O1 C3 C5 gi_2
6627 C4 C6 O5 C5 gi_2
6628 C3 O3 C2 C4 gi_2
6629 C1 C3 O2 C2 gi_2
6630 C1 O5 O1 C2 gi_2
6631 [ dihedrals ]
6632 ; ai aj ak al gromos type
6633 -C1 -O1 C4 C3 gd_30
6634 -O1 C4 C3 O3 gd_18
6635 -O1 C4 C3 C2 gd_17
6636 C5 C4 C3 O3 gd_17
6637 C5 C4 C3 C2 gd_34
6638 -O1 C4 C5 C6 gd_17
6639 C3 C4 C5 C6 gd_34
6640 C3 C4 C5 O5 gd_17
6641 C2 C3 O3 HO3 gd_30
6642 C4 C3 C2 O2 gd_17
6643 C4 C3 C2 C1 gd_34
6644 O3 C3 C2 O2 gd_18
6645 O3 C3 C2 C1 gd_17
6646 C1 C2 O2 HO2 gd_30
6647 C3 C2 C1 O5 gd_17
6648 C3 C2 C1 O1 gd_17
6649 C3 C2 C1 O1 gd_34
6650 O2 C2 C1 O1 gd_18
6651 C5 C6 O6 HO6 gd_30
6652 O6 C6 C5 C4 gd_1
6653 O6 C6 C5 O5 gd_3
6654 O6 C6 C5 O5 gd_35
6655 C4 C5 O5 C1 gd_29
6656 C5 O5 C1 C2 gd_29
6657 O5 C1 O1 +C4 gd_6
6658 O5 C1 O1 +C4 gd_28
6660 [ GALB ]
6661 [ atoms ]
6662 C4 CH1 0.23200 0
6663 C3 CH1 0.23200 1
6664 O3 OA -0.64200 1
6665 HO3 H 0.41000 1
6666 C2 CH1 0.23200 2
6667 O2 OA -0.64200 2
6668 HO2 H 0.41000 2
6669 C6 CH2 0.23200 3
6670 O6 OA -0.64200 3
6671 HO6 H 0.41000 3
6672 C5 CH1 0.37600 4
6673 O5 OA -0.48000 4
6674 C1 CH1 0.232 4
6675 O1 OA -0.360 4
6676 [ bonds ]
6677 C4 C3 gb_26
6678 C4 C5 gb_26
6679 C3 O3 gb_20
6680 C3 C2 gb_26
6681 O3 HO3 gb_1
6682 C2 O2 gb_20
6683 C2 C1 gb_26
6684 O2 HO2 gb_1
6685 C6 O6 gb_20
6686 C6 C5 gb_26
6687 O6 HO6 gb_1
6688 C5 O5 gb_20
6689 O5 C1 gb_20
6690 C1 O1 gb_20
6691 O1 +C4 gb_20
6692 [ angles ]
6693 ; ai aj ak gromos type
6694 -C1 -O1 C4 ga_10
6695 -O1 C4 C3 ga_9
6696 -O1 C4 C5 ga_9
6697 C3 C4 C5 ga_8
6698 C4 C3 O3 ga_9
6699 C4 C3 C2 ga_8
6700 O3 C3 C2 ga_9
6701 C3 O3 HO3 ga_12
6702 C3 C2 O2 ga_9
6703 C3 C2 C1 ga_8
6704 O2 C2 C1 ga_9
6705 C2 O2 HO2 ga_12
6706 O6 C6 C5 ga_9
6707 C6 O6 HO6 ga_12
6708 C4 C5 C6 ga_8
6709 C4 C5 O5 ga_9
6710 C6 C5 O5 ga_9
6711 C5 O5 C1 ga_10
6712 C2 C1 O5 ga_9
6713 C2 C1 O1 ga_9
6714 O5 C1 O1 ga_9
6715 C1 O1 +C4 ga_10
6716 [ impropers ]
6717 ; ai aj ak al gromos type
6718 C4 -O1 C3 C5 gi_2
6719 C4 C6 O5 C5 gi_2
6720 C3 O3 C2 C4 gi_2
6721 C2 O5 O1 C1 gi_2
6722 C1 C3 O2 C2 gi_2
6723 [ dihedrals ]
6724 ; ai aj ak al gromos type
6725 -C1 -O1 C4 C3 gd_30
6726 -O1 C4 C3 O3 gd_18
6727 -O1 C4 C3 C2 gd_17
6728 C5 C4 C3 O3 gd_17
6729 C5 C4 C3 C2 gd_34
6730 -O1 C4 C5 C6 gd_17
6731 C3 C4 C5 C6 gd_34
6732 C3 C4 C5 O5 gd_17
6733 C2 C3 O3 HO3 gd_30
6734 C4 C3 C2 O2 gd_17
6735 C4 C3 C2 C1 gd_34
6736 O3 C3 C2 O2 gd_18
6737 O3 C3 C2 C1 gd_17
6738 C1 C2 O2 HO2 gd_30
6739 C3 C2 C1 O5 gd_17
6740 C3 C2 C1 O1 gd_17
6741 C3 C2 C1 O1 gd_34
6742 O2 C2 C1 O1 gd_18
6743 C5 C6 O6 HO6 gd_30
6744 O6 C6 C5 C4 gd_1
6745 O6 C6 C5 O5 gd_3
6746 O6 C6 C5 O5 gd_35
6747 C4 C5 O5 C1 gd_29
6748 C5 O5 C1 C2 gd_29
6749 O5 C1 O1 +C4 gd_2
6750 O5 C1 O1 +C4 gd_32
6752 [ MANA ]
6753 [ atoms ]
6754 C4 CH1 0.23200 0
6755 C3 CH1 0.23200 1
6756 O3 OA -0.64200 1
6757 HO3 H 0.41000 1
6758 C2 CH1 0.23200 2
6759 O2 OA -0.64200 2
6760 HO2 H 0.41000 2
6761 C6 CH2 0.23200 3
6762 O6 OA -0.64200 3
6763 HO6 H 0.41000 3
6764 C5 CH1 0.37600 4
6765 O5 OA -0.48000 4
6766 C1 CH1 0.232 4
6767 O1 OA -0.360 4
6768 [ bonds ]
6769 C4 C3 gb_26
6770 C4 C5 gb_26
6771 C3 O3 gb_20
6772 C3 C2 gb_26
6773 O3 HO3 gb_1
6774 C2 O2 gb_20
6775 C2 C1 gb_26
6776 O2 HO2 gb_1
6777 C6 O6 gb_20
6778 C6 C5 gb_26
6779 O6 HO6 gb_1
6780 C5 O5 gb_20
6781 O5 C1 gb_20
6782 C1 O1 gb_20
6783 O1 +C4 gb_20
6784 [ angles ]
6785 ; ai aj ak gromos type
6786 -C1 -O1 C4 ga_10
6787 -O1 C4 C3 ga_9
6788 -O1 C4 C5 ga_9
6789 C3 C4 C5 ga_8
6790 C4 C3 O3 ga_9
6791 C4 C3 C2 ga_8
6792 O3 C3 C2 ga_9
6793 C3 O3 HO3 ga_12
6794 C3 C2 O2 ga_9
6795 C3 C2 C1 ga_8
6796 O2 C2 C1 ga_9
6797 C2 O2 HO2 ga_12
6798 O6 C6 C5 ga_9
6799 C6 O6 HO6 ga_12
6800 C4 C5 C6 ga_8
6801 C4 C5 O5 ga_9
6802 C6 C5 O5 ga_9
6803 C5 O5 C1 ga_10
6804 C2 C1 O5 ga_9
6805 C2 C1 O1 ga_9
6806 O5 C1 O1 ga_9
6807 C1 O1 +C4 ga_10
6808 [ impropers ]
6809 ; ai aj ak al gromos type
6810 C4 C6 O5 C5 gi_2
6811 C3 O3 C2 C4 gi_2
6812 C2 C3 O2 C1 gi_2
6813 C5 -O1 C3 C4 gi_2
6814 C1 O5 O1 C2 gi_2
6815 [ dihedrals ]
6816 ; ai aj ak al gromos type
6817 -C1 -O1 C4 C3 gd_30
6818 -O1 C4 C3 O3 gd_18
6819 -O1 C4 C3 C2 gd_17
6820 C5 C4 C3 O3 gd_17
6821 C5 C4 C3 C2 gd_34
6822 -O1 C4 C5 C6 gd_17
6823 C3 C4 C5 C6 gd_34
6824 C3 C4 C5 O5 gd_17
6825 C2 C3 O3 HO3 gd_30
6826 C4 C3 C2 O2 gd_17
6827 C4 C3 C2 C1 gd_34
6828 O3 C3 C2 O2 gd_18
6829 O3 C3 C2 C1 gd_17
6830 C1 C2 O2 HO2 gd_30
6831 C3 C2 C1 O5 gd_17
6832 C3 C2 C1 O1 gd_17
6833 C3 C2 C1 O1 gd_34
6834 O2 C2 C1 O1 gd_18
6835 C5 C6 O6 HO6 gd_30
6836 O6 C6 C5 O5 gd_5
6837 O6 C6 C5 O5 gd_37
6838 C4 C5 O5 C1 gd_29
6839 C5 O5 C1 C2 gd_29
6840 O5 C1 O1 +C4 gd_6
6841 O5 C1 O1 +C4 gd_28
6843 [ MANB ]
6844 [ atoms ]
6845 C4 CH1 0.23200 0
6846 C3 CH1 0.23200 1
6847 O3 OA -0.64200 1
6848 HO3 H 0.41000 1
6849 C2 CH1 0.23200 2
6850 O2 OA -0.64200 2
6851 HO2 H 0.41000 2
6852 C6 CH2 0.23200 3
6853 O6 OA -0.64200 3
6854 HO6 H 0.41000 3
6855 C5 CH1 0.37600 4
6856 O5 OA -0.48000 4
6857 C1 CH1 0.232 4
6858 O1 OA -0.360 4
6859 [ bonds ]
6860 C4 C3 gb_26
6861 C4 C5 gb_26
6862 C3 O3 gb_20
6863 C3 C2 gb_26
6864 O3 HO3 gb_1
6865 C2 O2 gb_20
6866 C2 C1 gb_26
6867 O2 HO2 gb_1
6868 C6 O6 gb_20
6869 C6 C5 gb_26
6870 O6 HO6 gb_1
6871 C5 O5 gb_20
6872 O5 C1 gb_20
6873 C1 O1 gb_20
6874 O1 +C4 gb_20
6875 [ angles ]
6876 ; ai aj ak gromos type
6877 -C1 -O1 C4 ga_10
6878 -O1 C4 C3 ga_9
6879 -O1 C4 C5 ga_9
6880 C3 C4 C5 ga_8
6881 C4 C3 O3 ga_9
6882 C4 C3 C2 ga_8
6883 O3 C3 C2 ga_9
6884 C3 O3 HO3 ga_12
6885 C3 C2 O2 ga_9
6886 C3 C2 C1 ga_8
6887 O2 C2 C1 ga_9
6888 C2 O2 HO2 ga_12
6889 O6 C6 C5 ga_9
6890 C6 O6 HO6 ga_12
6891 C4 C5 C6 ga_8
6892 C4 C5 O5 ga_9
6893 C6 C5 O5 ga_9
6894 C5 O5 C1 ga_10
6895 C2 C1 O5 ga_9
6896 C2 C1 O1 ga_9
6897 O5 C1 O1 ga_9
6898 C1 O1 +C4 ga_10
6899 [ impropers ]
6900 ; ai aj ak al gromos type
6901 C4 C6 O5 C5 gi_2
6902 C3 O3 C2 C4 gi_2
6903 C2 C3 O2 C1 gi_2
6904 C2 O5 O1 C1 gi_2
6905 C5 -O1 C3 C4 gi_2
6906 [ dihedrals ]
6907 ; ai aj ak al gromos type
6908 -C1 -O1 C4 C3 gd_30
6909 -O1 C4 C3 O3 gd_18
6910 -O1 C4 C3 C2 gd_17
6911 C5 C4 C3 O3 gd_17
6912 C5 C4 C3 C2 gd_34
6913 -O1 C4 C5 C6 gd_17
6914 C3 C4 C5 C6 gd_34
6915 C3 C4 C5 O5 gd_17
6916 C2 C3 O3 HO3 gd_30
6917 C4 C3 C2 O2 gd_17
6918 C4 C3 C2 C1 gd_34
6919 O3 C3 C2 O2 gd_18
6920 O3 C3 C2 C1 gd_17
6921 C1 C2 O2 HO2 gd_30
6922 C3 C2 C1 O5 gd_17
6923 C3 C2 C1 O1 gd_17
6924 C3 C2 C1 O1 gd_34
6925 O2 C2 C1 O1 gd_18
6926 C5 C6 O6 HO6 gd_30
6927 O6 C6 C5 O5 gd_5
6928 O6 C6 C5 O5 gd_37
6929 C4 C5 O5 C1 gd_29
6930 C5 O5 C1 C2 gd_29
6931 O5 C1 O1 +C4 gd_2
6932 O5 C1 O1 +C4 gd_32
6934 [ TRH ]
6935 [ atoms ]
6936 HO4 H 0.41000 0
6937 O4 OA -0.64200 0
6938 C4 CH1 0.23200 0
6939 C3 CH1 0.23200 1
6940 O3 OA -0.64200 1
6941 HO3 H 0.41000 1
6942 C2 CH1 0.23200 2
6943 O2 OA -0.64200 2
6944 HO2 H 0.41000 2
6945 C6 CH1 0.23200 3
6946 O6 OA -0.64200 3
6947 HO6 H 0.41000 3
6948 C5 CH1 0.37800 4
6949 O5 OA -0.45000 4
6950 C1 CH1 0.24200 4
6951 O1 OA -0.34000 4
6952 C1' CH1 0.24200 4
6953 O5' OA -0.45000 4
6954 C5' CH1 0.37800 4
6955 C4' CH1 0.27500 5
6956 O4' OA -0.60000 5
6957 HO4' H 0.47000 5
6958 C3' CH1 0.23200 6
6959 O3' OA -0.64200 6
6960 HO3' H 0.41000 6
6961 C2' CH1 0.23200 7
6962 O2' OA -0.64200 7
6963 HO2' H 0.41000 7
6964 C6' CH1 0.23200 8
6965 O6' OA -0.64200 8
6966 HO6' H 0.41000 8
6967 [ bonds ]
6968 HO4 O4 gb_1
6969 O4 C4 gb_20
6970 C4 C3 gb_26
6971 C4 C5 gb_26
6972 C3 O3 gb_20
6973 C3 C2 gb_26
6974 O3 HO3 gb_1
6975 C2 O2 gb_20
6976 C2 C1 gb_26
6977 O2 HO2 gb_1
6978 C6 O6 gb_20
6979 C6 C5 gb_26
6980 O6 HO6 gb_1
6981 C5 O5 gb_20
6982 O5 C1 gb_20
6983 C1 O1 gb_20
6984 O1 C1' gb_20
6985 C1' O5' gb_20
6986 C1' C2' gb_26
6987 O5' C5' gb_20
6988 C5' C4' gb_26
6989 C5' C6' gb_26
6990 C4' O4' gb_20
6991 C4' C3' gb_26
6992 O4' HO4' gb_1
6993 C3' O3' gb_20
6994 C3' C2' gb_26
6995 O3' HO3' gb_1
6996 C2' O2' gb_20
6997 O2' HO2' gb_1
6998 C6' O6' gb_20
6999 O6' HO6' gb_1
7000 [ angles ]
7001 ; ai aj ak gromos type
7002 HO4 O4 C4 ga_12
7003 O4 C4 C3 ga_9
7004 O4 C4 C5 ga_9
7005 C3 C4 C5 ga_8
7006 C4 C3 O3 ga_9
7007 C4 C3 C2 ga_8
7008 O3 C3 C2 ga_9
7009 C3 O3 HO3 ga_12
7010 C3 C2 O2 ga_9
7011 C3 C2 C1 ga_8
7012 O2 C2 C1 ga_9
7013 C2 O2 HO2 ga_12
7014 O6 C6 C5 ga_9
7015 C6 O6 HO6 ga_12
7016 C4 C5 C6 ga_8
7017 C4 C5 O5 ga_9
7018 C6 C5 O5 ga_9
7019 C5 O5 C1 ga_10
7020 C2 C1 O5 ga_9
7021 C2 C1 O1 ga_9
7022 O5 C1 O1 ga_9
7023 C1 O1 C1' ga_10
7024 O1 C1' O5' ga_9
7025 O1 C1' C2' ga_9
7026 O5' C1' C2' ga_9
7027 C1' O5' C5' ga_10
7028 O5' C5' C4' ga_9
7029 O5' C5' C6' ga_9
7030 C4' C5' C6' ga_8
7031 C5' C4' O4' ga_9
7032 C5' C4' C3' ga_8
7033 O4' C4' C3' ga_9
7034 C4' O4' HO4' ga_12
7035 C4' C3' O3' ga_9
7036 C4' C3' C2' ga_8
7037 O3' C3' C2' ga_9
7038 C3' O3' HO3' ga_12
7039 C1' C2' C3' ga_8
7040 C1' C2' O2' ga_9
7041 C3' C2' O2' ga_9
7042 C2' O2' HO2' ga_12
7043 C5' C6' O6' ga_9
7044 C6' O6' HO6' ga_12
7045 [ impropers ]
7046 ; ai aj ak al gromos type
7047 C4 C6 O5 C5 gi_2
7048 C3 O3 C2 C4 gi_2
7049 C5 O4 C3 C4 gi_2
7050 C1 C3 O2 C2 gi_2
7051 C1 O5 O1 C2 gi_2
7052 C1' C3' O2' C2' gi_2
7053 C5' O5' C6' C4' gi_2
7054 C5' O4' C3' C4' gi_2
7055 C3' O3' C2' C4' gi_2
7056 C2' O1 O5' C1' gi_2
7057 [ dihedrals ]
7058 ; ai aj ak al gromos type
7059 HO4 O4 C4 C3 gd_30
7060 O4 C4 C3 O3 gd_18
7061 O4 C4 C3 C2 gd_17
7062 C5 C4 C3 O3 gd_17
7063 C5 C4 C3 C2 gd_34
7064 O4 C4 C5 C6 gd_17
7065 C3 C4 C5 C6 gd_34
7066 C3 C4 C5 O5 gd_17
7067 C2 C3 O3 HO3 gd_30
7068 C4 C3 C2 O2 gd_17
7069 C4 C3 C2 C1 gd_34
7070 O3 C3 C2 O2 gd_18
7071 O3 C3 C2 C1 gd_17
7072 C1 C2 O2 HO2 gd_30
7073 C3 C2 C1 O5 gd_17
7074 C3 C2 C1 O1 gd_17
7075 C3 C2 C1 O1 gd_34
7076 O2 C2 C1 O1 gd_18
7077 C5 C6 O6 HO6 gd_30
7078 O6 C6 C5 C5 gd_5
7079 O6 C6 C5 O5 gd_37
7080 C4 C5 O5 C1 gd_29
7081 C2' C5 O3' O3' gd_30
7082 C5 O5 C1 C2 gd_29
7083 O5 C1 O1 C1' gd_6
7084 O5 C1 O1 C1' gd_28
7085 C1 O1 C1' O5' gd_6
7086 C1 O1 C1' O5' gd_28
7087 C2' C1' O5' C5' gd_29
7088 O1 C1' C2' C3' gd_17
7089 O1 C1' C2' C3' gd_34
7090 O1 C1' C2' O2' gd_18
7091 O5' C1' C2' C3' gd_17
7092 C1' O5' C5' C4' gd_29
7093 O5' C5' C4' C3' gd_17
7094 C6' C5' C4' O4' gd_17
7095 C6' C5' C4' C3' gd_34
7096 O5' C5' C6' O6' gd_5
7097 O5' C5' C6' O6' gd_37
7098 C3' C4' O4' HO4' gd_30
7099 C5' C4' C3' O3' gd_17
7100 C5' C4' C3' C2' gd_34
7101 O4' C4' C3' C2' gd_17
7102 C4' O4' C3' O3' gd_18
7103 C4' C3' C2' C1' gd_34
7104 C4' C3' C2' O2' gd_17
7105 O3' C3' C2' C1' gd_17
7106 O3' C3' C2' O2' gd_18
7107 C1' C2' O2' HO2' gd_30
7108 C5' C6' O6' HO6' gd_30
7110 [ UGLB ]
7111 [ atoms ]
7112 C4 CH1 0.23200 0
7113 C3 CH1 0.23200 1
7114 O3 OA -0.64200 1
7115 HO3 H 0.41000 1
7116 C2 CH1 0.23200 2
7117 O2 OA -0.64200 2
7118 HO2 H 0.41000 2
7119 C6 C 0.36000 3
7120 O61 OM -0.68000 3
7121 O62 OM -0.68000 3
7122 C5 CH1 0.37600 4
7123 O5 OA -0.48000 4
7124 C1 CH1 0.232 4
7125 O1 OA -0.360 4
7126 [ bonds ]
7127 C4 C3 gb_26
7128 C4 C5 gb_26
7129 C3 O3 gb_20
7130 C3 C2 gb_26
7131 O3 HO3 gb_1
7132 C2 O2 gb_20
7133 C2 C1 gb_26
7134 O2 HO2 gb_1
7135 C6 O61 gb_6
7136 C6 O62 gb_6
7137 C6 C5 gb_27
7138 C5 O5 gb_20
7139 O5 C1 gb_20
7140 C1 O1 gb_20
7141 O1 +C4 gb_20
7142 [ angles ]
7143 ; ai aj ak gromos type
7144 -C1 -O1 C4 ga_10
7145 -O1 C4 C3 ga_9
7146 -O1 C4 C5 ga_9
7147 C3 C4 C5 ga_8
7148 C4 C3 O3 ga_9
7149 C4 C3 C2 ga_8
7150 O3 C3 C2 ga_9
7151 C3 O3 HO3 ga_12
7152 C3 C2 O2 ga_9
7153 C3 C2 C1 ga_8
7154 O2 C2 C1 ga_9
7155 C2 O2 HO2 ga_12
7156 O61 C6 O62 ga_38
7157 O61 C6 C5 ga_22
7158 O62 C6 C5 ga_22
7159 C4 C5 C6 ga_8
7160 C4 C5 O5 ga_9
7161 C6 C5 O5 ga_9
7162 C5 O5 C1 ga_10
7163 C2 C1 O5 ga_9
7164 C2 C1 O1 ga_9
7165 O5 C1 O1 ga_9
7166 C1 O1 +C4 ga_10
7167 [ impropers ]
7168 ; ai aj ak al gromos type
7169 C4 C6 O5 C5 gi_2
7170 C3 O3 C2 C4 gi_2
7171 C2 O5 O1 C1 gi_2
7172 C6 O61 O62 C5 gi_1
7173 C5 -O1 C3 C4 gi_2
7174 C1 C3 O2 C2 gi_2
7175 [ dihedrals ]
7176 ; ai aj ak al gromos type
7177 -C1 -O1 C4 C3 gd_30
7178 -O1 C4 C3 O3 gd_18
7179 -O1 C4 C3 C2 gd_17
7180 C5 C4 C3 O3 gd_17
7181 C5 C4 C3 C2 gd_34
7182 -O1 C4 C5 C6 gd_17
7183 C3 C4 C5 C6 gd_34
7184 C3 C4 C5 O5 gd_17
7185 C2 C3 O3 HO3 gd_30
7186 C4 C3 C2 O2 gd_17
7187 C4 C3 C2 C1 gd_34
7188 O3 C3 C2 O2 gd_18
7189 O3 C3 C2 C1 gd_17
7190 C1 C2 O2 HO2 gd_30
7191 C3 C2 C1 O5 gd_17
7192 C3 C2 C1 O1 gd_17
7193 C3 C2 C1 O1 gd_34
7194 O2 C2 C1 O1 gd_18
7195 O61 C6 C5 O5 gd_40
7196 C4 C5 O5 C1 gd_29
7197 C5 O5 C1 C2 gd_29
7198 O5 C1 O1 +C4 gd_2
7199 O5 C1 O1 +C4 gd_32
7201 [ UMNB ]
7202 [ atoms ]
7203 C4 CH1 0.23200 0
7204 C3 CH1 0.23200 1
7205 O3 OA -0.64200 1
7206 HO3 H 0.41000 1
7207 C2 CH1 0.23200 2
7208 O2 OA -0.64200 2
7209 HO2 H 0.41000 2
7210 C6 C 0.36000 3
7211 O61 OM -0.68000 3
7212 O62 OM -0.68000 3
7213 C5 CH1 0.37600 4
7214 O5 OA -0.48000 4
7215 C1 CH1 0.232 4
7216 O1 OA -0.360 4
7217 [ bonds ]
7218 C4 C3 gb_26
7219 C4 C5 gb_26
7220 C3 O3 gb_20
7221 C3 C2 gb_26
7222 O3 HO3 gb_1
7223 C2 O2 gb_20
7224 C2 C1 gb_26
7225 O2 HO2 gb_1
7226 C6 O61 gb_6
7227 C6 O62 gb_6
7228 C6 C5 gb_27
7229 C5 O5 gb_20
7230 O5 C1 gb_20
7231 C1 O1 gb_20
7232 O1 +C4 gb_20
7233 [ angles ]
7234 ; ai aj ak gromos type
7235 -C1 -O1 C4 ga_10
7236 -O1 C4 C3 ga_9
7237 -O1 C4 C5 ga_9
7238 C3 C4 C5 ga_8
7239 C4 C3 O3 ga_9
7240 C4 C3 C2 ga_8
7241 O3 C3 C2 ga_9
7242 C3 O3 HO3 ga_12
7243 C3 C2 O2 ga_9
7244 C3 C2 C1 ga_8
7245 O2 C2 C1 ga_9
7246 C2 O2 HO2 ga_12
7247 O61 C6 O62 ga_38
7248 O61 C6 C5 ga_22
7249 O62 C6 C5 ga_22
7250 C4 C5 C6 ga_8
7251 C4 C5 O5 ga_9
7252 C6 C5 O5 ga_9
7253 C5 O5 C1 ga_10
7254 C2 C1 O5 ga_9
7255 C2 C1 O1 ga_9
7256 O5 C1 O1 ga_9
7257 C1 O1 +C4 ga_10
7258 [ impropers ]
7259 ; ai aj ak al gromos type
7260 C4 C6 O5 C5 gi_2
7261 C3 O3 C2 C4 gi_2
7262 C2 C3 O2 C1 gi_2
7263 C2 O5 O1 C1 gi_2
7264 C6 O61 O62 C5 gi_1
7265 C5 -O1 C3 C4 gi_2
7266 [ dihedrals ]
7267 ; ai aj ak al gromos type
7268 -C1 -O1 C4 C3 gd_30
7269 -O1 C4 C3 O3 gd_18
7270 -O1 C4 C3 C2 gd_17
7271 C5 C4 C3 O3 gd_17
7272 C5 C4 C3 C2 gd_34
7273 -O1 C4 C5 C6 gd_17
7274 C3 C4 C5 C6 gd_34
7275 C3 C4 C5 O5 gd_17
7276 C2 C3 O3 HO3 gd_30
7277 C4 C3 C2 O2 gd_17
7278 C4 C3 C2 C1 gd_34
7279 O3 C3 C2 O2 gd_18
7280 O3 C3 C2 C1 gd_17
7281 C1 C2 O2 HO2 gd_30
7282 C3 C2 C1 O5 gd_17
7283 C3 C2 C1 O1 gd_17
7284 C3 C2 C1 O1 gd_34
7285 O2 C2 C1 O1 gd_18
7286 O61 C6 C5 O5 gd_40
7287 C4 C5 O5 C1 gd_29
7288 C5 O5 C1 C2 gd_29
7289 O5 C1 O1 +C4 gd_2
7290 O5 C1 O1 +C4 gd_32
7292 [ UGAA ]
7293 [ atoms ]
7294 C4 CH1 0.23200 0
7295 C3 CH1 0.23200 1
7296 O3 OA -0.64200 1
7297 HO3 H 0.41000 1
7298 C2 CH1 0.23200 2
7299 O2 OA -0.64200 2
7300 HO2 H 0.41000 2
7301 C6 C 0.36000 3
7302 O61 OM -0.68000 3
7303 O62 OM -0.68000 3
7304 C5 CH1 0.37600 4
7305 O5 OA -0.48000 4
7306 C1 CH1 0.232 4
7307 O1 OA -0.360 4
7308 [ bonds ]
7309 C4 C3 gb_26
7310 C4 C5 gb_26
7311 C3 O3 gb_20
7312 C3 C2 gb_26
7313 O3 HO3 gb_1
7314 C2 O2 gb_20
7315 C2 C1 gb_26
7316 O2 HO2 gb_1
7317 C6 O61 gb_6
7318 C6 O62 gb_6
7319 C6 C5 gb_27
7320 C5 O5 gb_20
7321 O5 C1 gb_20
7322 C1 O1 gb_20
7323 O1 +C4 gb_20
7324 [ angles ]
7325 ; ai aj ak gromos type
7326 -C1 -O1 C4 ga_10
7327 -O1 C4 C3 ga_9
7328 -O1 C4 C5 ga_9
7329 C3 C4 C5 ga_8
7330 C4 C3 O3 ga_9
7331 C4 C3 C2 ga_8
7332 O3 C3 C2 ga_9
7333 C3 O3 HO3 ga_12
7334 C3 C2 O2 ga_9
7335 C3 C2 C1 ga_8
7336 O2 C2 C1 ga_9
7337 C2 O2 HO2 ga_12
7338 O61 C6 O62 ga_38
7339 O61 C6 C5 ga_22
7340 O62 C6 C5 ga_22
7341 C4 C5 C6 ga_8
7342 C4 C5 O5 ga_9
7343 C6 C5 O5 ga_9
7344 C5 O5 C1 ga_10
7345 C2 C1 O5 ga_9
7346 C2 C1 O1 ga_9
7347 O5 C1 O1 ga_9
7348 C1 O1 +C4 ga_10
7349 [ impropers ]
7350 ; ai aj ak al gromos type
7351 C4 -O1 C3 C5 gi_2
7352 C4 C6 O5 C5 gi_2
7353 C3 O3 C2 C4 gi_2
7354 C6 O61 O62 C5 gi_1
7355 C1 C3 O2 C2 gi_2
7356 C1 O5 O1 C2 gi_2
7357 [ dihedrals ]
7358 ; ai aj ak al gromos type
7359 -C1 -O1 C4 C3 gd_30
7360 -O1 C4 C3 O3 gd_18
7361 -O1 C4 C3 C2 gd_17
7362 C5 C4 C3 O3 gd_17
7363 C5 C4 C3 C2 gd_34
7364 -O1 C4 C5 C6 gd_17
7365 C3 C4 C5 C6 gd_34
7366 C3 C4 C5 O5 gd_17
7367 C2 C3 O3 HO3 gd_30
7368 C4 C3 C2 O2 gd_17
7369 C4 C3 C2 C1 gd_34
7370 O3 C3 C2 O2 gd_18
7371 O3 C3 C2 C1 gd_17
7372 C1 C2 O2 HO2 gd_30
7373 C3 C2 C1 O5 gd_17
7374 C3 C2 C1 O1 gd_17
7375 C3 C2 C1 O1 gd_34
7376 O2 C2 C1 O1 gd_18
7377 O61 C6 C5 O5 gd_40
7378 C4 C5 O5 C1 gd_29
7379 C5 O5 C1 C2 gd_29
7380 O5 C1 O1 +C4 gd_6
7381 O5 C1 O1 +C4 gd_28
7383 [ UGUA ]
7384 [ atoms ]
7385 C4 CH1 0.23200 0
7386 C3 CH1 0.23200 1
7387 O3 OA -0.64200 1
7388 HO3 H 0.41000 1
7389 C2 CH1 0.23200 2
7390 O2 OA -0.64200 2
7391 HO2 H 0.41000 2
7392 C6 C 0.36000 3
7393 O61 OM -0.68000 3
7394 O62 OM -0.68000 3
7395 C5 CH1 0.37600 4
7396 O5 OA -0.48000 4
7397 C1 CH1 0.232 4
7398 O1 OA -0.360 4
7399 [ bonds ]
7400 C4 C3 gb_26
7401 C4 C5 gb_26
7402 C3 O3 gb_20
7403 C3 C2 gb_26
7404 O3 HO3 gb_1
7405 C2 O2 gb_20
7406 C2 C1 gb_26
7407 O2 HO2 gb_1
7408 C6 O61 gb_6
7409 C6 O62 gb_6
7410 C6 C5 gb_27
7411 C5 O5 gb_20
7412 O5 C1 gb_20
7413 C1 O1 gb_20
7414 O1 +C4 gb_20
7415 [ angles ]
7416 ; ai aj ak gromos type
7417 -C1 -O1 C4 ga_10
7418 -O1 C4 C3 ga_9
7419 -O1 C4 C5 ga_9
7420 C3 C4 C5 ga_8
7421 C4 C3 O3 ga_9
7422 C4 C3 C2 ga_8
7423 O3 C3 C2 ga_9
7424 C3 O3 HO3 ga_12
7425 C3 C2 O2 ga_9
7426 C3 C2 C1 ga_8
7427 O2 C2 C1 ga_9
7428 C2 O2 HO2 ga_12
7429 O61 C6 O62 ga_38
7430 O61 C6 C5 ga_22
7431 O62 C6 C5 ga_22
7432 C4 C5 C6 ga_8
7433 C4 C5 O5 ga_9
7434 C6 C5 O5 ga_9
7435 C5 O5 C1 ga_10
7436 C2 C1 O5 ga_9
7437 C2 C1 O1 ga_9
7438 O5 C1 O1 ga_9
7439 C1 O1 +C4 ga_10
7440 [ impropers ]
7441 ; ai aj ak al gromos type
7442 C4 -O1 C3 C5 gi_2
7443 C4 O3 C2 C3 gi_2
7444 C4 C6 O5 C5 gi_2
7445 C6 O61 O62 C5 gi_1
7446 C1 C3 O2 C2 gi_2
7447 C1 O5 O1 C2 gi_2
7448 [ dihedrals ]
7449 ; ai aj ak al gromos type
7450 -C1 -O1 C4 C3 gd_30
7451 -O1 C4 C3 O3 gd_18
7452 -O1 C4 C3 C2 gd_17
7453 C5 C4 C3 O3 gd_17
7454 C5 C4 C3 C2 gd_34
7455 -O1 C4 C5 C6 gd_17
7456 C3 C4 C5 C6 gd_34
7457 C3 C4 C5 O5 gd_17
7458 C2 C3 O3 HO3 gd_30
7459 C4 C3 C2 O2 gd_17
7460 C4 C3 C2 C1 gd_34
7461 O3 C3 C2 O2 gd_18
7462 O3 C3 C2 C1 gd_17
7463 C1 C2 O2 HO2 gd_30
7464 C3 C2 C1 O5 gd_17
7465 C3 C2 C1 O1 gd_17
7466 C3 C2 C1 O1 gd_34
7467 O2 C2 C1 O1 gd_18
7468 O61 C6 C5 O5 gd_40
7469 C4 C5 O5 C1 gd_29
7470 C5 O5 C1 C2 gd_29
7471 O5 C1 O1 +C4 gd_6
7472 O5 C1 O1 +C4 gd_28
7474 [ DPPC ]
7475 [ atoms ]
7476 C33 CH3 0.25000 0
7477 C34 CH3 0.25000 0
7478 C35 CH3 0.25000 0
7479 N NL 0.00000 0
7480 C32 CH2 0.25000 0
7481 C31 CH2 0.00000 1
7482 O32 OA -0.36000 2
7483 P P 0.99000 2
7484 O33 OM -0.63500 2
7485 O34 OM -0.63500 2
7486 O31 OA -0.36000 2
7487 C3 CH2 0.00000 3
7488 C2 CH1 0.16000 4
7489 O21 OE -0.36000 4
7490 C21 C 0.58000 4
7491 O22 O -0.38000 4
7492 C22 CH2 0.00000 5
7493 C23 CH2 0.00000 5
7494 C24 CH2 0.00000 6
7495 C25 CH2 0.00000 6
7496 C26 CH2 0.00000 7
7497 C27 CH2 0.00000 7
7498 C28 CH2 0.00000 8
7499 C29 CH2 0.00000 8
7500 C210 CH2 0.00000 9
7501 C211 CH2 0.00000 9
7502 C212 CH2 0.00000 10
7503 C213 CH2 0.00000 10
7504 C214 CH2 0.00000 11
7505 C215 CH2 0.00000 11
7506 C216 CH3 0.00000 12
7507 C1 CH2 0.16000 13
7508 O11 OE -0.36000 13
7509 C11 C 0.58000 13
7510 O12 O -0.38000 13
7511 C12 CH2 0.00000 14
7512 C13 CH2 0.00000 14
7513 C14 CH2 0.00000 15
7514 C15 CH2 0.00000 15
7515 C16 CH2 0.00000 16
7516 C17 CH2 0.00000 16
7517 C18 CH2 0.00000 17
7518 C19 CH2 0.00000 17
7519 C110 CH2 0.00000 18
7520 C111 CH2 0.00000 18
7521 C112 CH2 0.00000 19
7522 C113 CH2 0.00000 19
7523 C114 CH2 0.00000 20
7524 C115 CH2 0.00000 20
7525 C116 CH3 0.00000 21
7526 [ bonds ]
7527 C33 N gb_21
7528 C34 N gb_21
7529 C35 N gb_21
7530 N C32 gb_21
7531 C32 C31 gb_27
7532 C31 O32 gb_18
7533 O32 P gb_28
7534 P O33 gb_24
7535 P O34 gb_24
7536 P O31 gb_28
7537 O31 C3 gb_18
7538 C3 C2 gb_27
7539 C2 O21 gb_18
7540 C2 C1 gb_27
7541 O21 C21 gb_10
7542 C21 O22 gb_5
7543 C21 C22 gb_23
7544 C22 C23 gb_27
7545 C23 C24 gb_27
7546 C24 C25 gb_27
7547 C25 C26 gb_27
7548 C26 C27 gb_27
7549 C27 C28 gb_27
7550 C28 C29 gb_27
7551 C29 C210 gb_27
7552 C210 C211 gb_27
7553 C211 C212 gb_27
7554 C212 C213 gb_27
7555 C213 C214 gb_27
7556 C214 C215 gb_27
7557 C215 C216 gb_27
7558 C1 O11 gb_18
7559 O11 C11 gb_10
7560 C11 O12 gb_5
7561 C11 C12 gb_23
7562 C12 C13 gb_27
7563 C13 C14 gb_27
7564 C14 C15 gb_27
7565 C15 C16 gb_27
7566 C16 C17 gb_27
7567 C17 C18 gb_27
7568 C18 C19 gb_27
7569 C19 C110 gb_27
7570 C110 C111 gb_27
7571 C111 C112 gb_27
7572 C112 C113 gb_27
7573 C113 C114 gb_27
7574 C114 C115 gb_27
7575 C115 C116 gb_27
7576 [ angles ]
7577 ; ai aj ak gromos type
7578 C33 N C34 ga_13
7579 C33 N C35 ga_13
7580 C33 N C32 ga_13
7581 C34 N C35 ga_13
7582 C34 N C32 ga_13
7583 C35 N C32 ga_13
7584 N C32 C31 ga_15
7585 C32 C31 O32 ga_15
7586 C31 O32 P ga_26
7587 O32 P O33 ga_14
7588 O32 P O34 ga_14
7589 O32 P O31 ga_5
7590 O33 P O34 ga_29
7591 O33 P O31 ga_14
7592 O34 P O31 ga_14
7593 P O31 C3 ga_26
7594 O31 C3 C2 ga_15
7595 C3 C2 O21 ga_13
7596 C3 C2 C1 ga_13
7597 O21 C2 C1 ga_13
7598 C2 O21 C21 ga_22
7599 O21 C21 O22 ga_31
7600 O21 C21 C22 ga_16
7601 O22 C21 C22 ga_35
7602 C21 C22 C23 ga_15
7603 C22 C23 C24 ga_15
7604 C23 C24 C25 ga_15
7605 C24 C25 C26 ga_15
7606 C25 C26 C27 ga_15
7607 C26 C27 C28 ga_15
7608 C27 C28 C29 ga_15
7609 C28 C29 C210 ga_15
7610 C29 C210 C211 ga_15
7611 C210 C211 C212 ga_15
7612 C211 C212 C213 ga_15
7613 C212 C213 C214 ga_15
7614 C213 C214 C215 ga_15
7615 C214 C215 C216 ga_15
7616 C2 C1 O11 ga_15
7617 C1 O11 C11 ga_22
7618 O11 C11 O12 ga_31
7619 O11 C11 C12 ga_16
7620 O12 C11 C12 ga_35
7621 C11 C12 C13 ga_15
7622 C12 C13 C14 ga_15
7623 C13 C14 C15 ga_15
7624 C14 C15 C16 ga_15
7625 C15 C16 C17 ga_15
7626 C16 C17 C18 ga_15
7627 C17 C18 C19 ga_15
7628 C18 C19 C110 ga_15
7629 C19 C110 C111 ga_15
7630 C110 C111 C112 ga_15
7631 C111 C112 C113 ga_15
7632 C112 C113 C114 ga_15
7633 C113 C114 C115 ga_15
7634 C114 C115 C116 ga_15
7635 [ impropers ]
7636 ; ai aj ak al gromos type
7637 O21 C3 C1 C2 gi_2
7638 C21 O21 C22 O22 gi_1
7639 C11 O11 C12 O12 gi_1
7640 [ dihedrals ]
7641 ; ai aj ak al gromos type
7642 C33 N C32 C31 gd_29
7643 N C32 C31 O32 gd_4
7644 N C32 C31 O32 gd_36
7645 C32 C31 O32 P gd_29
7646 C31 O32 P O31 gd_20
7647 C31 O32 P O31 gd_27
7648 O32 P O31 C3 gd_20
7649 O32 P O31 C3 gd_27
7650 P O31 C3 C2 gd_29
7651 O31 C3 C2 C1 gd_34
7652 C3 C2 O21 C21 gd_29
7653 C3 C2 C1 O11 gd_34
7654 C2 O21 C21 C22 gd_13
7655 O21 C21 C22 C23 gd_40
7656 C21 C22 C23 C24 gd_34
7657 C22 C23 C24 C25 gd_34
7658 C23 C24 C25 C26 gd_34
7659 C24 C25 C26 C27 gd_34
7660 C25 C26 C27 C28 gd_34
7661 C26 C27 C28 C29 gd_34
7662 C27 C28 C29 C210 gd_34
7663 C28 C29 C210 C211 gd_34
7664 C29 C210 C211 C212 gd_34
7665 C210 C211 C212 C213 gd_34
7666 C211 C212 C213 C214 gd_34
7667 C212 C213 C214 C215 gd_34
7668 C213 C214 C215 C216 gd_34
7669 C2 C1 O11 C11 gd_29
7670 C1 O11 C11 C12 gd_13
7671 O11 C11 C12 C13 gd_40
7672 C11 C12 C13 C14 gd_34
7673 C12 C13 C14 C15 gd_34
7674 C13 C14 C15 C16 gd_34
7675 C14 C15 C16 C17 gd_34
7676 C15 C16 C17 C18 gd_34
7677 C16 C17 C18 C19 gd_34
7678 C17 C18 C19 C110 gd_34
7679 C18 C19 C110 C111 gd_34
7680 C19 C110 C111 C112 gd_34
7681 C110 C111 C112 C113 gd_34
7682 C111 C112 C113 C114 gd_34
7683 C112 C113 C114 C115 gd_34
7684 C113 C114 C115 C116 gd_34
7686 [ HEME ]
7687 [ atoms ]
7688 FE FE 0.40000 0
7689 NA NR -0.10000 0
7690 NB NR -0.10000 0
7691 NC NR -0.10000 0
7692 ND NR -0.10000 0
7693 CHA C -0.10000 1
7694 HHA HC 0.10000 1
7695 C1A C 0.00000 2
7696 C2A C 0.00000 2
7697 C3A C 0.00000 2
7698 C4A C 0.00000 2
7699 CMA CH3 0.00000 3
7700 CAA CH2 0.00000 4
7701 CBA CH2 0.00000 4
7702 CGA C 0.27000 5
7703 O1A OM -0.63500 5
7704 O2A OM -0.63500 5
7705 CHB C -0.10000 6
7706 HHB HC 0.10000 6
7707 C1B C 0.00000 7
7708 C2B C 0.00000 7
7709 C3B C 0.00000 7
7710 C4B C 0.00000 7
7711 CMB CH3 0.00000 8
7712 CAB CR1 0.00000 9
7713 CBB CH2 0.00000 9
7714 CHC C -0.10000 10
7715 HHC HC 0.10000 10
7716 C1C C 0.00000 11
7717 C2C C 0.00000 11
7718 C3C C 0.00000 11
7719 C4C C 0.00000 11
7720 CMC CH3 0.00000 12
7721 CAC CR1 0.00000 13
7722 CBC CH2 0.00000 13
7723 CHD C -0.10000 14
7724 HHD HC 0.10000 14
7725 C1D C 0.00000 15
7726 C2D C 0.00000 15
7727 C3D C 0.00000 15
7728 C4D C 0.00000 15
7729 CMD CH3 0.00000 16
7730 CAD CH2 0.00000 17
7731 CBD CH2 0.00000 17
7732 CGD C 0.27000 18
7733 O1D OM -0.63500 18
7734 O2D OM -0.63500 18
7735 [ bonds ]
7736 FE NA gb_35
7737 FE NB gb_35
7738 FE NC gb_35
7739 FE ND gb_35
7740 NA C1A gb_14
7741 NA C4A gb_14
7742 NB C1B gb_14
7743 NB C4B gb_14
7744 NC C1C gb_14
7745 NC C4C gb_14
7746 ND C1D gb_14
7747 ND C4D gb_14
7748 CHA HHA gb_3
7749 CHA C1A gb_17
7750 CHA C4D gb_17
7751 C1A C2A gb_17
7752 C2A C3A gb_17
7753 C2A CAA gb_27
7754 C3A C4A gb_17
7755 C3A CMA gb_27
7756 C4A CHB gb_17
7757 CAA CBA gb_27
7758 CBA CGA gb_27
7759 CGA O1A gb_6
7760 CGA O2A gb_6
7761 CHB HHB gb_3
7762 CHB C1B gb_17
7763 C1B C2B gb_17
7764 C2B C3B gb_17
7765 C2B CMB gb_27
7766 C3B C4B gb_17
7767 C3B CAB gb_27
7768 C4B CHC gb_17
7769 CAB CBB gb_12
7770 CHC HHC gb_3
7771 CHC C1C gb_17
7772 C1C C2C gb_17
7773 C2C C3C gb_17
7774 C2C CMC gb_27
7775 C3C C4C gb_17
7776 C3C CAC gb_27
7777 C4C CHD gb_17
7778 CAC CBC gb_12
7779 CHD HHD gb_3
7780 CHD C1D gb_17
7781 C1D C2D gb_17
7782 C2D C3D gb_17
7783 C2D CMD gb_27
7784 C3D C4D gb_17
7785 C3D CAD gb_27
7786 CAD CBD gb_27
7787 CBD CGD gb_27
7788 CGD O1D gb_6
7789 CGD O2D gb_6
7790 [ exclusions ]
7791 ; ai aj
7792 FE CHA
7793 FE C2A
7794 FE C3A
7795 FE CHB
7796 FE C2B
7797 FE C3B
7798 FE CHC
7799 FE C2C
7800 FE C3C
7801 FE CHD
7802 FE C2D
7803 FE C3D
7804 NA HHA
7805 NA CMA
7806 NA CAA
7807 NA HHB
7808 NA C1B
7809 NA C4B
7810 NA C1C
7811 NA C4C
7812 NA C1D
7813 NA C4D
7814 NB C1A
7815 NB C4A
7816 NB HHB
7817 NB CMB
7818 NB CAB
7819 NB HHC
7820 NB C1C
7821 NB C4C
7822 NB C1D
7823 NB C4D
7824 NC C1A
7825 NC C4A
7826 NC C1B
7827 NC C4B
7828 NC HHC
7829 NC CMC
7830 NC CAC
7831 NC HHD
7832 NC C1D
7833 NC C4D
7834 ND HHA
7835 ND C1A
7836 ND C4A
7837 ND C1B
7838 ND C4B
7839 ND C1C
7840 ND C4C
7841 ND HHD
7842 ND CMD
7843 ND CAD
7844 CHA C3A
7845 CHA C4A
7846 CHA CAA
7847 CHA C1D
7848 CHA C2D
7849 CHA CAD
7850 HHA C2A
7851 HHA C3D
7852 C1A CMA
7853 C1A CHB
7854 C1A C3D
7855 C2A CHB
7856 C3A HHB
7857 C3A C1B
7858 C4A CAA
7859 C4A C2B
7860 CMA CAA
7861 CMA CHB
7862 CHB C3B
7863 CHB C4B
7864 CHB CMB
7865 HHB C2B
7866 C1B CAB
7867 C1B CHC
7868 C2B CHC
7869 C3B HHC
7870 C3B C1C
7871 C4B CMB
7872 C4B C2C
7873 CMB CAB
7874 CAB CHC
7875 CHC C3C
7876 CHC C4C
7877 CHC CMC
7878 HHC C2C
7879 C1C CAC
7880 C1C CHD
7881 C2C CHD
7882 C3C HHD
7883 C3C C1D
7884 C4C CMC
7885 C4C C2D
7886 CMC CAC
7887 CAC CHD
7888 CHD C3D
7889 CHD C4D
7890 CHD CMD
7891 HHD C2D
7892 C1D CAD
7893 C4D CMD
7894 CMD CAD
7895 [ angles ]
7896 ; ai aj ak gromos type
7897 NA FE NB ga_2
7898 NA FE ND ga_2
7899 NB FE NC ga_2
7900 NC FE ND ga_2
7901 FE NA C1A ga_36
7902 FE NA C4A ga_36
7903 C1A NA C4A ga_6
7904 FE NB C1B ga_36
7905 FE NB C4B ga_36
7906 C1B NB C4B ga_6
7907 FE NC C1C ga_36
7908 FE NC C4C ga_36
7909 C1C NC C4C ga_6
7910 FE ND C1D ga_36
7911 FE ND C4D ga_36
7912 C1D ND C4D ga_6
7913 HHA CHA C1A ga_20
7914 HHA CHA C4D ga_20
7915 C1A CHA C4D ga_37
7916 NA C1A CHA ga_33
7917 NA C1A C2A ga_15
7918 CHA C1A C2A ga_38
7919 C1A C2A C3A ga_7
7920 C1A C2A CAA ga_37
7921 C3A C2A CAA ga_37
7922 C2A C3A C4A ga_7
7923 C2A C3A CMA ga_37
7924 C4A C3A CMA ga_37
7925 NA C4A C3A ga_15
7926 NA C4A CHB ga_33
7927 C3A C4A CHB ga_38
7928 C2A CAA CBA ga_15
7929 CAA CBA CGA ga_15
7930 CBA CGA O1A ga_22
7931 CBA CGA O2A ga_22
7932 O1A CGA O2A ga_38
7933 C4A CHB HHB ga_20
7934 C4A CHB C1B ga_37
7935 HHB CHB C1B ga_20
7936 NB C1B CHB ga_33
7937 NB C1B C2B ga_15
7938 CHB C1B C2B ga_38
7939 C1B C2B C3B ga_7
7940 C1B C2B CMB ga_37
7941 C3B C2B CMB ga_37
7942 C2B C3B C4B ga_7
7943 C2B C3B CAB ga_37
7944 C4B C3B CAB ga_37
7945 NB C4B C3B ga_15
7946 NB C4B CHC ga_33
7947 C3B C4B CHC ga_38
7948 C3B CAB CBB ga_37
7949 C4B CHC HHC ga_20
7950 C4B CHC C1C ga_37
7951 HHC CHC C1C ga_20
7952 NC C1C CHC ga_33
7953 NC C1C C2C ga_15
7954 CHC C1C C2C ga_38
7955 C1C C2C C3C ga_7
7956 C1C C2C CMC ga_37
7957 C3C C2C CMC ga_37
7958 C2C C3C C4C ga_7
7959 C2C C3C CAC ga_37
7960 C4C C3C CAC ga_37
7961 NC C4C C3C ga_15
7962 NC C4C CHD ga_33
7963 C3C C4C CHD ga_38
7964 C3C CAC CBC ga_37
7965 C4C CHD HHD ga_20
7966 C4C CHD C1D ga_37
7967 HHD CHD C1D ga_20
7968 ND C1D CHD ga_33
7969 ND C1D C2D ga_15
7970 CHD C1D C2D ga_38
7971 C1D C2D C3D ga_7
7972 C1D C2D CMD ga_37
7973 C3D C2D CMD ga_37
7974 C2D C3D C4D ga_7
7975 C2D C3D CAD ga_37
7976 C4D C3D CAD ga_37
7977 ND C4D CHA ga_33
7978 ND C4D C3D ga_15
7979 CHA C4D C3D ga_38
7980 C3D CAD CBD ga_15
7981 CAD CBD CGD ga_15
7982 CBD CGD O1D ga_22
7983 CBD CGD O2D ga_22
7984 O1D CGD O2D ga_38
7985 [ impropers ]
7986 ; ai aj ak al gromos type
7987 FE C1A C4A NA gi_3
7988 FE C1B C4B NB gi_3
7989 FE C1C C4C NC gi_3
7990 FE C1D C4D ND gi_3
7991 NA C1A C2A C3A gi_1
7992 NB C1B C2B C3B gi_1
7993 NC C1C C2C C3C gi_1
7994 ND C1D C2D C3D gi_1
7995 CHA NA C2A C1A gi_1
7996 CHA ND C3D C4D gi_1
7997 HHA C1A C4D CHA gi_1
7998 C1A NA C4A C3A gi_1
7999 C1A C2A C3A C4A gi_1
8000 C2A C1A C3A CAA gi_1
8001 C2A C3A C4A NA gi_1
8002 C3A C2A C4A CMA gi_1
8003 C4A NA C1A C2A gi_1
8004 CBA O1A O2A CGA gi_1
8005 CHB NA C3A C4A gi_1
8006 CHB NB C2B C1B gi_1
8007 CHB C4A C1B HHB gi_1
8008 C1B NB C4B C3B gi_1
8009 C1B C2B C3B C4B gi_1
8010 C2B C1B C3B CMB gi_1
8011 C2B C3B C4B NB gi_1
8012 C3B C2B C4B CAB gi_1
8013 C4B NB C1B C2B gi_1
8014 CHC NB C3B C4B gi_1
8015 CHC NC C2C C1C gi_1
8016 CHC C4B C1C HHC gi_1
8017 C1C NC C4C C3C gi_1
8018 C1C C2C C3C C4C gi_1
8019 C2C C1C C3C CMC gi_1
8020 C2C C3C C4C NC gi_1
8021 C3C C2C C4C CAC gi_1
8022 C4C NC C1C C2C gi_1
8023 CHD NC C3C C4C gi_1
8024 CHD ND C2D C1D gi_1
8025 CHD C4C C1D HHD gi_1
8026 C1D ND C4D C3D gi_1
8027 C1D C2D C3D C4D gi_1
8028 C2D C1D C3D CMD gi_1
8029 C2D C3D C4D ND gi_1
8030 C3D C2D C4D CAD gi_1
8031 C4D ND C1D C2D gi_1
8032 CBD O1D O2D CGD gi_1
8033 [ dihedrals ]
8034 ; ai aj ak al gromos type
8035 C4D CHA C1A NA gd_15
8036 C1A CHA C4D ND gd_15
8037 C1A C2A CAA CBA gd_40
8038 NA C4A CHB C1B gd_15
8039 C2A CAA CBA CGA gd_34
8040 CAA CBA CGA O1A gd_40
8041 C4A CHB C1B NB gd_15
8042 C2B C3B CAB CBB gd_9
8043 NB C4B CHC C1C gd_15
8044 C4B CHC C1C NC gd_15
8045 C2C C3C CAC CBC gd_9
8046 NC C4C CHD C1D gd_15
8047 C4C CHD C1D ND gd_15
8048 C2D C3D CAD CBD gd_40
8049 C3D CAD CBD CGD gd_34
8050 CAD CBD CGD O1D gd_40
8052 [ HEMC ]
8053 [ atoms ]
8054 FE FE 0.40000 0
8055 NA NR -0.10000 0
8056 NB NR -0.10000 0
8057 NC NR -0.10000 0
8058 ND NR -0.10000 0
8059 CHA C -0.10000 1
8060 HHA HC 0.10000 1
8061 C1A C 0.00000 2
8062 C2A C 0.00000 2
8063 C3A C 0.00000 2
8064 C4A C 0.00000 2
8065 CMA CH3 0.00000 3
8066 CAA CH2 0.00000 4
8067 CBA CH2 0.00000 4
8068 CGA C 0.27000 5
8069 O1A OM -0.63500 5
8070 O2A OM -0.63500 5
8071 CHB C -0.10000 6
8072 HHB HC 0.10000 6
8073 C1B C 0.00000 7
8074 C2B C 0.00000 7
8075 C3B C 0.00000 7
8076 C4B C 0.00000 7
8077 CMB CH3 0.00000 8
8078 CAB CR1 0.00000 9
8079 CBB CH2 0.00000 9
8080 CHC C -0.10000 10
8081 HHC HC 0.10000 10
8082 C1C C 0.00000 11
8083 C2C C 0.00000 11
8084 C3C C 0.00000 11
8085 C4C C 0.00000 11
8086 CMC CH3 0.00000 12
8087 CAC CR1 0.00000 13
8088 CBC CH2 0.00000 13
8089 CHD C -0.10000 14
8090 HHD HC 0.10000 14
8091 C1D C 0.00000 15
8092 C2D C 0.00000 15
8093 C3D C 0.00000 15
8094 C4D C 0.00000 15
8095 CMD CH3 0.00000 16
8096 CAD CH2 0.00000 17
8097 CBD CH2 0.00000 17
8098 CGD C 0.27000 18
8099 O1D OM -0.63500 18
8100 O2D OM -0.63500 18
8101 C1O C 0.00000 19
8102 O1C O 0.00000 19
8103 [ bonds ]
8104 FE NA gb_35
8105 FE NB gb_35
8106 FE NC gb_35
8107 FE ND gb_35
8108 FE C1O gb_30
8109 NA C1A gb_14
8110 NA C4A gb_14
8111 NB C1B gb_14
8112 NB C4B gb_14
8113 NC C1C gb_14
8114 NC C4C gb_14
8115 ND C1D gb_14
8116 ND C4D gb_14
8117 CHA HHA gb_3
8118 CHA C1A gb_17
8119 CHA C4D gb_17
8120 C1A C2A gb_17
8121 C2A C3A gb_17
8122 C2A CAA gb_27
8123 C3A C4A gb_17
8124 C3A CMA gb_27
8125 C4A CHB gb_17
8126 CAA CBA gb_27
8127 CBA CGA gb_27
8128 CGA O1A gb_6
8129 CGA O2A gb_6
8130 CHB HHB gb_3
8131 CHB C1B gb_17
8132 C1B C2B gb_17
8133 C2B C3B gb_17
8134 C2B CMB gb_27
8135 C3B C4B gb_17
8136 C3B CAB gb_27
8137 C4B CHC gb_17
8138 CAB CBB gb_12
8139 CHC HHC gb_3
8140 CHC C1C gb_17
8141 C1C C2C gb_17
8142 C2C C3C gb_17
8143 C2C CMC gb_27
8144 C3C C4C gb_17
8145 C3C CAC gb_27
8146 C4C CHD gb_17
8147 CAC CBC gb_12
8148 CHD HHD gb_3
8149 CHD C1D gb_17
8150 C1D C2D gb_17
8151 C2D C3D gb_17
8152 C2D CMD gb_27
8153 C3D C4D gb_17
8154 C3D CAD gb_27
8155 CAD CBD gb_27
8156 CBD CGD gb_27
8157 CGD O1D gb_6
8158 CGD O2D gb_6
8159 C1O O1C gb_4
8160 [ exclusions ]
8161 ; ai aj
8162 FE CHA
8163 FE C2A
8164 FE C3A
8165 FE CHB
8166 FE C2B
8167 FE C3B
8168 FE CHC
8169 FE C2C
8170 FE C3C
8171 FE CHD
8172 FE C2D
8173 FE C3D
8174 NA HHA
8175 NA CMA
8176 NA CAA
8177 NA HHB
8178 NA C1B
8179 NA C4B
8180 NA C1C
8181 NA C4C
8182 NA C1D
8183 NA C4D
8184 NA O1C
8185 NB C1A
8186 NB C4A
8187 NB HHB
8188 NB CMB
8189 NB CAB
8190 NB HHC
8191 NB C1C
8192 NB C4C
8193 NB C1D
8194 NB C4D
8195 NB O1C
8196 NC C1A
8197 NC C4A
8198 NC C1B
8199 NC C4B
8200 NC HHC
8201 NC CMC
8202 NC CAC
8203 NC HHD
8204 NC C1D
8205 NC C4D
8206 NC O1C
8207 ND HHA
8208 ND C1A
8209 ND C4A
8210 ND C1B
8211 ND C4B
8212 ND C1C
8213 ND C4C
8214 ND HHD
8215 ND CMD
8216 ND CAD
8217 ND O1C
8218 CHA C3A
8219 CHA C4A
8220 CHA CAA
8221 CHA C1D
8222 CHA C2D
8223 CHA CAD
8224 HHA C2A
8225 HHA C3D
8226 C1A CMA
8227 C1A CHB
8228 C1A C3D
8229 C1A C1O
8230 C2A CHB
8231 C3A HHB
8232 C3A C1B
8233 C4A CAA
8234 C4A C2B
8235 C4A C1O
8236 CMA CAA
8237 CMA CHB
8238 CHB C3B
8239 CHB C4B
8240 CHB CMB
8241 HHB C2B
8242 C1B CAB
8243 C1B CHC
8244 C1B C1O
8245 C2B CHC
8246 C3B HHC
8247 C3B C1C
8248 C4B CMB
8249 C4B C2C
8250 C4B C1O
8251 CMB CAB
8252 CAB CHC
8253 CHC C3C
8254 CHC C4C
8255 CHC CMC
8256 HHC C2C
8257 C1C CAC
8258 C1C CHD
8259 C1C C1O
8260 C2C CHD
8261 C3C HHD
8262 C3C C1D
8263 C4C CMC
8264 C4C C2D
8265 C4C C1O
8266 CMC CAC
8267 CAC CHD
8268 CHD C3D
8269 CHD C4D
8270 CHD CMD
8271 HHD C2D
8272 C1D CAD
8273 C1D C1O
8274 C4D CMD
8275 C4D C1O
8276 CMD CAD
8277 [ angles ]
8278 ; ai aj ak gromos type
8279 NA FE NB ga_2
8280 NA FE ND ga_2
8281 NA FE C1O ga_1
8282 NB FE NC ga_2
8283 NB FE C1O ga_1
8284 NC FE ND ga_2
8285 NC FE C1O ga_1
8286 ND FE C1O ga_1
8287 FE NA C1A ga_36
8288 FE NA C4A ga_36
8289 C1A NA C4A ga_6
8290 FE NB C1B ga_36
8291 FE NB C4B ga_36
8292 C1B NB C4B ga_6
8293 FE NC C1C ga_36
8294 FE NC C4C ga_36
8295 C1C NC C4C ga_6
8296 FE ND C1D ga_36
8297 FE ND C4D ga_36
8298 C1D ND C4D ga_6
8299 HHA CHA C1A ga_20
8300 HHA CHA C4D ga_20
8301 C1A CHA C4D ga_37
8302 NA C1A CHA ga_33
8303 NA C1A C2A ga_15
8304 CHA C1A C2A ga_38
8305 C1A C2A C3A ga_7
8306 C1A C2A CAA ga_37
8307 C3A C2A CAA ga_37
8308 C2A C3A C4A ga_7
8309 C2A C3A CMA ga_37
8310 C4A C3A CMA ga_37
8311 NA C4A C3A ga_15
8312 NA C4A CHB ga_33
8313 C3A C4A CHB ga_38
8314 C2A CAA CBA ga_15
8315 CAA CBA CGA ga_15
8316 CBA CGA O1A ga_22
8317 CBA CGA O2A ga_22
8318 O1A CGA O2A ga_38
8319 C4A CHB HHB ga_20
8320 C4A CHB C1B ga_37
8321 HHB CHB C1B ga_20
8322 NB C1B CHB ga_33
8323 NB C1B C2B ga_15
8324 CHB C1B C2B ga_38
8325 C1B C2B C3B ga_7
8326 C1B C2B CMB ga_37
8327 C3B C2B CMB ga_37
8328 C2B C3B C4B ga_7
8329 C2B C3B CAB ga_37
8330 C4B C3B CAB ga_37
8331 NB C4B C3B ga_15
8332 NB C4B CHC ga_33
8333 C3B C4B CHC ga_38
8334 C3B CAB CBB ga_37
8335 C4B CHC HHC ga_20
8336 C4B CHC C1C ga_37
8337 HHC CHC C1C ga_20
8338 NC C1C CHC ga_33
8339 NC C1C C2C ga_15
8340 CHC C1C C2C ga_38
8341 C1C C2C C3C ga_7
8342 C1C C2C CMC ga_37
8343 C3C C2C CMC ga_37
8344 C2C C3C C4C ga_7
8345 C2C C3C CAC ga_37
8346 C4C C3C CAC ga_37
8347 NC C4C C3C ga_15
8348 NC C4C CHD ga_33
8349 C3C C4C CHD ga_38
8350 C3C CAC CBC ga_37
8351 C4C CHD HHD ga_20
8352 C4C CHD C1D ga_37
8353 HHD CHD C1D ga_20
8354 ND C1D CHD ga_33
8355 ND C1D C2D ga_15
8356 CHD C1D C2D ga_38
8357 C1D C2D C3D ga_7
8358 C1D C2D CMD ga_37
8359 C3D C2D CMD ga_37
8360 C2D C3D C4D ga_7
8361 C2D C3D CAD ga_37
8362 C4D C3D CAD ga_37
8363 ND C4D CHA ga_33
8364 ND C4D C3D ga_15
8365 CHA C4D C3D ga_38
8366 C3D CAD CBD ga_15
8367 CAD CBD CGD ga_15
8368 CBD CGD O1D ga_22
8369 CBD CGD O2D ga_22
8370 O1D CGD O2D ga_38
8371 FE C1O O1C ga_41
8372 [ impropers ]
8373 ; ai aj ak al gromos type
8374 FE C1A C4A NA gi_3
8375 FE C1B C4B NB gi_3
8376 FE C1C C4C NC gi_3
8377 FE C1D C4D ND gi_3
8378 NA C1A C2A C3A gi_1
8379 NB C1B C2B C3B gi_1
8380 NC C1C C2C C3C gi_1
8381 ND C1D C2D C3D gi_1
8382 CHA NA C2A C1A gi_1
8383 CHA ND C3D C4D gi_1
8384 HHA C1A C4D CHA gi_1
8385 C1A NA C4A C3A gi_1
8386 C1A C2A C3A C4A gi_1
8387 C2A C1A C3A CAA gi_1
8388 C2A C3A C4A NA gi_1
8389 C3A C2A C4A CMA gi_1
8390 C4A NA C1A C2A gi_1
8391 CBA O1A O2A CGA gi_1
8392 CHB NA C3A C4A gi_1
8393 CHB NB C2B C1B gi_1
8394 CHB C4A C1B HHB gi_1
8395 C1B NB C4B C3B gi_1
8396 C1B C2B C3B C4B gi_1
8397 C2B C1B C3B CMB gi_1
8398 C2B C3B C4B NB gi_1
8399 C3B C2B C4B CAB gi_1
8400 C4B NB C1B C2B gi_1
8401 CHC NB C3B C4B gi_1
8402 CHC NC C2C C1C gi_1
8403 CHC C4B C1C HHC gi_1
8404 C1C NC C4C C3C gi_1
8405 C1C C2C C3C C4C gi_1
8406 C2C C1C C3C CMC gi_1
8407 C2C C3C C4C NC gi_1
8408 C3C C2C C4C CAC gi_1
8409 C4C NC C1C C2C gi_1
8410 CHD NC C3C C4C gi_1
8411 CHD ND C2D C1D gi_1
8412 CHD C4C C1D HHD gi_1
8413 C1D ND C4D C3D gi_1
8414 C1D C2D C3D C4D gi_1
8415 C2D C1D C3D CMD gi_1
8416 C2D C3D C4D ND gi_1
8417 C3D C2D C4D CAD gi_1
8418 C4D ND C1D C2D gi_1
8419 CBD O1D O2D CGD gi_1
8420 [ dihedrals ]
8421 ; ai aj ak al gromos type
8422 C4D CHA C1A NA gd_15
8423 C1A CHA C4D ND gd_15
8424 C1A C2A CAA CBA gd_40
8425 NA C4A CHB C1B gd_15
8426 C2A CAA CBA CGA gd_34
8427 CAA CBA CGA O1A gd_40
8428 C4A CHB C1B NB gd_15
8429 C2B C3B CAB CBB gd_9
8430 NB C4B CHC C1C gd_15
8431 C4B CHC C1C NC gd_15
8432 C2C C3C CAC CBC gd_9
8433 NC C4C CHD C1D gd_15
8434 C4C CHD C1D ND gd_15
8435 C2D C3D CAD CBD gd_40
8436 C3D CAD CBD CGD gd_34
8437 CAD CBD CGD O1D gd_40
8439 [ CYTa ]
8440 [ atoms ]
8441 C4* CH1 0.16000 0
8442 O4* OA -0.36000 0
8443 C1* CH1 0.20000 0
8444 N1 NR -0.20000 1
8445 C6 CR1 0.20000 1
8446 C2 C 0.38000 2
8447 O2 O -0.38000 2
8448 N3 NR -0.36000 3
8449 C4 C 0.36000 3
8450 N4 NT -0.83000 4
8451 H41 H 0.41500 4
8452 H42 H 0.41500 4
8453 C5 CR1 0.00000 5
8454 C2* CH1 0.15000 6
8455 O2* OA -0.54800 6
8456 H2* H 0.39800 6
8457 C3* CH1 0.00000 7
8458 O3* OA -0.36000 8
8459 SI1 P 0.54000 8
8460 OSI OA -0.36000 8
8461 SI2 P 0.54000 8
8462 O5* OA -0.36000 8
8463 C5* CH2r 0.00000 9
8464 C11 CH1 0.00000 10
8465 C111 CH3 0.00000 10
8466 C112 CH3 0.00000 10
8467 C12 CH1 0.00000 11
8468 C121 CH3 0.00000 11
8469 C122 CH3 0.00000 11
8470 C21 CH1 0.00000 12
8471 C211 CH3 0.00000 12
8472 C212 CH3 0.00000 12
8473 C22 CH1 0.00000 13
8474 C221 CH3 0.00000 13
8475 C222 CH3 0.00000 13
8476 [ bonds ]
8477 C4* O4* gb_20
8478 C4* C3* gb_26
8479 C4* C5* gb_26
8480 O4* C1* gb_20
8481 C1* N1 gb_23
8482 C1* C2* gb_26
8483 N1 C6 gb_17
8484 N1 C2 gb_17
8485 C6 C5 gb_16
8486 C2 O2 gb_5
8487 C2 N3 gb_12
8488 N3 C4 gb_12
8489 C4 N4 gb_9
8490 C4 C5 gb_16
8491 N4 H41 gb_2
8492 N4 H42 gb_2
8493 C2* O2* gb_20
8494 C2* C3* gb_26
8495 O2* H2* gb_1
8496 C3* O3* gb_20
8497 O3* SI1 gb_29
8498 SI1 OSI gb_29
8499 SI1 C11 gb_33
8500 SI1 C12 gb_33
8501 OSI SI2 gb_29
8502 SI2 O5* gb_29
8503 SI2 C21 gb_33
8504 SI2 C22 gb_33
8505 O5* C5* gb_20
8506 C11 C111 gb_27
8507 C11 C112 gb_27
8508 C12 C121 gb_27
8509 C12 C122 gb_27
8510 C21 C211 gb_27
8511 C21 C212 gb_27
8512 C22 C221 gb_27
8513 C22 C222 gb_27
8514 [ exclusions ]
8515 ; ai aj
8516 C1* O2
8517 C1* N3
8518 C1* C5
8519 N1 C4
8520 C6 O2
8521 C6 N3
8522 C6 N4
8523 C2 N4
8524 C2 C5
8525 O2 C4
8526 [ angles ]
8527 ; ai aj ak gromos type
8528 O4* C4* C3* ga_9
8529 O4* C4* C5* ga_9
8530 C3* C4* C5* ga_8
8531 C4* O4* C1* ga_10
8532 O4* C1* N1 ga_9
8533 O4* C1* C2* ga_9
8534 N1 C1* C2* ga_8
8535 C1* N1 C6 ga_27
8536 C1* N1 C2 ga_27
8537 C6 N1 C2 ga_27
8538 N1 C6 C5 ga_27
8539 N1 C2 O2 ga_27
8540 N1 C2 N3 ga_27
8541 O2 C2 N3 ga_27
8542 C2 N3 C4 ga_27
8543 N3 C4 N4 ga_27
8544 N3 C4 C5 ga_27
8545 N4 C4 C5 ga_27
8546 C4 N4 H41 ga_23
8547 C4 N4 H42 ga_23
8548 H41 N4 H42 ga_24
8549 C6 C5 C4 ga_27
8550 C1* C2* O2* ga_9
8551 C1* C2* C3* ga_8
8552 O2* C2* C3* ga_9
8553 C2* O2* H2* ga_12
8554 C4* C3* C2* ga_8
8555 C4* C3* O3* ga_9
8556 C2* C3* O3* ga_9
8557 C3* O3* SI1 ga_26
8558 O3* SI1 OSI ga_12
8559 O3* SI1 C11 ga_12
8560 O3* SI1 C12 ga_12
8561 OSI SI1 C11 ga_12
8562 OSI SI1 C12 ga_12
8563 C11 SI1 C12 ga_12
8564 SI1 OSI SI2 ga_40
8565 OSI SI2 O5* ga_12
8566 OSI SI2 C21 ga_12
8567 OSI SI2 C22 ga_12
8568 O5* SI2 C21 ga_12
8569 O5* SI2 C22 ga_12
8570 C21 SI2 C22 ga_12
8571 SI2 O5* C5* ga_26
8572 C4* C5* O5* ga_9
8573 SI1 C11 C111 ga_13
8574 SI1 C11 C112 ga_13
8575 C111 C11 C112 ga_15
8576 SI1 C12 C121 ga_13
8577 SI1 C12 C122 ga_13
8578 C121 C12 C122 ga_15
8579 SI2 C21 C211 ga_13
8580 SI2 C21 C212 ga_13
8581 C211 C21 C212 ga_15
8582 SI2 C22 C221 ga_13
8583 SI2 C22 C222 ga_13
8584 C221 C22 C222 ga_15
8585 [ impropers ]
8586 ; ai aj ak al gromos type
8587 C4* O4* C5* C3* gi_2
8588 N1 C6 C2 C1* gi_1
8589 N1 C6 C5 C4 gi_1
8590 N1 C2 N3 C4 gi_1
8591 C6 N1 C2 N3 gi_1
8592 C2 N1 C6 C5 gi_1
8593 C2 N3 C4 C5 gi_1
8594 O2 N1 N3 C2 gi_1
8595 N3 C4 C5 C6 gi_1
8596 N4 N3 C5 C4 gi_1
8597 N4 H41 H42 C4 gi_1
8598 C2* O4* N1 C1* gi_2
8599 C2* O2* C3* C1* gi_2
8600 C3* C2* O3* C4* gi_2
8601 SI1 C111 C112 C11 gi_2
8602 SI1 C121 C122 C12 gi_2
8603 SI2 C211 C212 C21 gi_2
8604 SI2 C221 C222 C22 gi_2
8605 [ dihedrals ]
8606 ; ai aj ak al gromos type
8607 C3* C4* O4* C1* gd_29
8608 O4* C4* C3* C2* gd_17
8609 O4* C4* C3* O3* gd_18
8610 C5* C4* C3* C2* gd_34
8611 C5* C4* C3* O3* gd_17
8612 O4* C4* C5* O5* gd_18
8613 C3* C4* C5* O5* gd_17
8614 C3* C4* C5* O5* gd_34
8615 C4* O4* C1* C2* gd_29
8616 O4* C1* N1 C2 gd_16
8617 O4* C1* C2* O2* gd_18
8618 O4* C1* C2* C3* gd_17
8619 O4* C1* C2* C3* gd_34
8620 N1 C1* C2* O2* gd_17
8621 N3 C4 N4 H41 gd_14
8622 C1* C2* O2* H2* gd_23
8623 C1* C2* C3* C4* gd_34
8624 C1* C2* C3* O3* gd_17
8625 O2* C2* C3* C4* gd_17
8626 O2* C2* C3* O3* gd_18
8627 C4* C3* O3* SI1 gd_29
8628 C3* O3* SI1 OSI gd_29
8629 O3* SI1 OSI SI2 gd_29
8630 O3* SI1 C11 C111 gd_34
8631 O3* SI1 C12 C121 gd_34
8632 SI1 OSI SI2 O5* gd_29
8633 OSI SI2 O5* C5* gd_29
8634 O5* SI2 C21 C211 gd_34
8635 O5* SI2 C22 C221 gd_34
8636 SI2 O5* C5* C4* gd_29
8638 [ MTXH ]
8639 [ atoms ]
8640 N1 NR -0.28000 0
8641 HA1 H 0.28000 0
8642 C2 C 0.00000 0
8643 NA2 NT -0.83000 1
8644 HA21 H 0.41500 1
8645 HA22 H 0.41500 1
8646 N3 NR -0.36000 2
8647 C4 C 0.36000 2
8648 NA4 NT -0.83000 3
8649 HA41 H 0.41500 3
8650 HA42 H 0.41500 3
8651 C4A C 0.00000 4
8652 N5 NR -0.36000 4
8653 C6 C 0.36000 4
8654 C7 CR1 0.36000 5
8655 N8 NR -0.36000 5
8656 C8A C 0.00000 5
8657 C9 CH2 0.00000 6
8658 N10 NE 0.00000 6
8659 CM10 CH3 0.00000 6
8660 C14 C 0.00000 7
8661 C13 CR1 0.00000 7
8662 C15 CR1 0.00000 7
8663 C12 CR1 0.00000 8
8664 C16 CR1 0.00000 8
8665 C11 C 0.00000 8
8666 C C 0.38000 9
8667 O O -0.38000 9
8668 N N -0.28000 10
8669 H H 0.28000 10
8670 CA CH1 0.00000 11
8671 CB CH2 0.00000 11
8672 CG CH2 0.00000 11
8673 CD C 0.27000 12
8674 OE1 OM -0.63500 12
8675 OE2 OM -0.63500 12
8676 CT C 0.27000 13
8677 O1 OM -0.63500 13
8678 O2 OM -0.63500 13
8679 [ bonds ]
8680 N1 HA1 gb_2
8681 N1 C2 gb_17
8682 N1 C8A gb_17
8683 C2 NA2 gb_9
8684 C2 N3 gb_12
8685 NA2 HA21 gb_2
8686 NA2 HA22 gb_2
8687 N3 C4 gb_12
8688 C4 NA4 gb_9
8689 C4 C4A gb_16
8690 NA4 HA41 gb_2
8691 NA4 HA42 gb_2
8692 C4A N5 gb_12
8693 C4A C8A gb_16
8694 N5 C6 gb_12
8695 C6 C7 gb_16
8696 C6 C9 gb_27
8697 C7 N8 gb_7
8698 N8 C8A gb_12
8699 C9 N10 gb_21
8700 N10 CM10 gb_21
8701 N10 C14 gb_11
8702 C14 C13 gb_16
8703 C14 C15 gb_16
8704 C13 C12 gb_16
8705 C15 C16 gb_16
8706 C12 C11 gb_16
8707 C16 C11 gb_16
8708 C11 C gb_27
8709 C O gb_5
8710 C N gb_10
8711 N H gb_2
8712 N CA gb_21
8713 CA CB gb_27
8714 CA CT gb_27
8715 CB CG gb_27
8716 CG CD gb_27
8717 CD OE1 gb_6
8718 CD OE2 gb_6
8719 CT O1 gb_6
8720 CT O2 gb_6
8721 [ exclusions ]
8722 ; ai aj
8723 N1 C4
8724 N1 N5
8725 N1 C7
8726 HA1 NA2
8727 HA1 N3
8728 HA1 C4A
8729 HA1 N8
8730 C2 NA4
8731 C2 C4A
8732 C2 N8
8733 NA2 C4
8734 NA2 C8A
8735 N3 N5
8736 N3 C8A
8737 C4 C6
8738 C4 N8
8739 NA4 N5
8740 NA4 C8A
8741 C4A C7
8742 C4A C9
8743 N5 N8
8744 C6 C8A
8745 N8 C9
8746 N10 C12
8747 N10 C16
8748 C14 C11
8749 C13 C16
8750 C13 C
8751 C15 C12
8752 C15 C
8753 [ angles ]
8754 ; ai aj ak gromos type
8755 HA1 N1 C2 ga_25
8756 HA1 N1 C8A ga_25
8757 C2 N1 C8A ga_27
8758 N1 C2 NA2 ga_27
8759 N1 C2 N3 ga_27
8760 NA2 C2 N3 ga_27
8761 C2 NA2 HA21 ga_23
8762 C2 NA2 HA22 ga_23
8763 HA21 NA2 HA22 ga_24
8764 C2 N3 C4 ga_27
8765 N3 C4 NA4 ga_27
8766 N3 C4 C4A ga_27
8767 NA4 C4 C4A ga_27
8768 C4 NA4 HA41 ga_23
8769 C4 NA4 HA42 ga_23
8770 HA41 NA4 HA42 ga_24
8771 C4 C4A N5 ga_27
8772 C4 C4A C8A ga_27
8773 N5 C4A C8A ga_27
8774 C4A N5 C6 ga_27
8775 N5 C6 C7 ga_27
8776 N5 C6 C9 ga_27
8777 C7 C6 C9 ga_27
8778 C6 C7 N8 ga_27
8779 C7 N8 C8A ga_27
8780 N1 C8A C4A ga_27
8781 N1 C8A N8 ga_27
8782 C4A C8A N8 ga_27
8783 C6 C9 N10 ga_15
8784 C9 N10 CM10 ga_20
8785 C9 N10 C14 ga_33
8786 CM10 N10 C14 ga_23
8787 N10 C14 C13 ga_27
8788 N10 C14 C15 ga_27
8789 C13 C14 C15 ga_27
8790 C14 C13 C12 ga_27
8791 C14 C15 C16 ga_27
8792 C13 C12 C11 ga_27
8793 C15 C16 C11 ga_27
8794 C12 C11 C16 ga_27
8795 C12 C11 C ga_27
8796 C16 C11 C ga_27
8797 C11 C O ga_30
8798 C11 C N ga_19
8799 O C N ga_33
8800 C N H ga_32
8801 C N CA ga_31
8802 H N CA ga_18
8803 N CA CB ga_13
8804 N CA CT ga_13
8805 CB CA CT ga_13
8806 CA CB CG ga_15
8807 CB CG CD ga_15
8808 CG CD OE1 ga_22
8809 CG CD OE2 ga_22
8810 OE1 CD OE2 ga_38
8811 CA CT O1 ga_22
8812 CA CT O2 ga_22
8813 O1 CT O2 ga_38
8814 [ impropers ]
8815 ; ai aj ak al gromos type
8816 N1 C2 N3 C4 gi_1
8817 N1 C2 C8A HA1 gi_1
8818 C2 N1 N3 NA2 gi_1
8819 C2 N1 C8A C4A gi_1
8820 C2 N3 C4 C4A gi_1
8821 NA2 HA21 HA22 C2 gi_1
8822 N3 C4 C4A C8A gi_1
8823 C4 N3 C4A NA4 gi_1
8824 C4 C4A C8A N1 gi_1
8825 NA4 HA41 HA42 C4 gi_1
8826 C4A C4 N5 C8A gi_1
8827 C4A N5 C6 C7 gi_1
8828 N5 C4A C8A N8 gi_1
8829 N5 C6 C7 N8 gi_1
8830 C6 N5 C7 C9 gi_1
8831 C6 C7 N8 C8A gi_1
8832 C7 N8 C8A C4A gi_1
8833 C8A N1 C2 N3 gi_1
8834 C8A N1 N8 C4A gi_1
8835 C8A C4A N5 C6 gi_1
8836 N10 C9 C14 CM10 gi_1
8837 C14 C13 C15 N10 gi_1
8838 C14 C13 C12 C11 gi_1
8839 C14 C15 C16 C11 gi_1
8840 C13 C14 C15 C16 gi_1
8841 C13 C12 C11 C16 gi_1
8842 C15 C14 C13 C12 gi_1
8843 C15 C16 C11 C12 gi_1
8844 C11 C12 C16 C gi_1
8845 C C11 N O gi_1
8846 N C CA H gi_1
8847 CA N CT CB gi_2
8848 CD OE1 OE2 CG gi_1
8849 CT CA O2 O1 gi_1
8850 [ dihedrals ]
8851 ; ai aj ak al gromos type
8852 N1 C2 NA2 HA21 gd_14
8853 C4A C4 NA4 HA41 gd_14
8854 N5 C6 C9 N10 gd_40
8855 C6 C9 N10 C14 gd_39
8856 C9 N10 C14 C13 gd_14
8857 C12 C11 C N gd_10
8858 C11 C N CA gd_14
8859 C N CA CT gd_39
8860 N CA CB CG gd_34
8861 N CA CT O1 gd_40
8862 CA CB CG CD gd_34
8863 CB CG CD OE1 gd_40
8865 [ FOL ]
8866 [ atoms ]
8867 N1 NR -0.36000 0
8868 C2 C 0.36000 0
8869 NA2 NT -0.83000 1
8870 HA21 H 0.41500 1
8871 HA22 H 0.41500 1
8872 N3 NR -0.28000 2
8873 HA3 H 0.28000 2
8874 C4 C 0.38000 3
8875 OA4 O -0.38000 3
8876 C4A C 0.00000 4
8877 N5 NR -0.36000 4
8878 C6 C 0.36000 4
8879 C7 CR1 0.36000 5
8880 N8 NR -0.36000 5
8881 C8A C 0.00000 5
8882 C9 CH2 0.00000 6
8883 N10 NE -0.28000 6
8884 H10 H 0.28000 6
8885 C14 C 0.00000 7
8886 C13 CR1 0.00000 7
8887 C15 CR1 0.00000 7
8888 C12 CR1 0.00000 8
8889 C16 CR1 0.00000 8
8890 C11 C 0.00000 8
8891 C C 0.38000 9
8892 O O -0.38000 9
8893 N N -0.28000 10
8894 H H 0.28000 10
8895 CA CH1 0.00000 11
8896 CB CH2 0.00000 11
8897 CG CH2 0.00000 11
8898 CD C 0.27000 12
8899 OE1 OM -0.63500 12
8900 OE2 OM -0.63500 12
8901 CT C 0.27000 13
8902 O1 OM -0.63500 13
8903 O2 OM -0.63500 13
8904 [ bonds ]
8905 N1 C2 gb_12
8906 N1 C8A gb_12
8907 C2 NA2 gb_9
8908 C2 N3 gb_17
8909 NA2 HA21 gb_2
8910 NA2 HA22 gb_2
8911 N3 HA3 gb_2
8912 N3 C4 gb_17
8913 C4 OA4 gb_5
8914 C4 C4A gb_16
8915 C4A N5 gb_12
8916 C4A C8A gb_16
8917 N5 C6 gb_12
8918 C6 C7 gb_16
8919 C6 C9 gb_27
8920 C7 N8 gb_7
8921 N8 C8A gb_12
8922 C9 N10 gb_21
8923 N10 H10 gb_2
8924 N10 C14 gb_11
8925 C14 C13 gb_16
8926 C14 C15 gb_16
8927 C13 C12 gb_16
8928 C15 C16 gb_16
8929 C12 C11 gb_16
8930 C16 C11 gb_16
8931 C11 C gb_27
8932 C O gb_5
8933 C N gb_10
8934 N H gb_2
8935 N CA gb_21
8936 CA CB gb_27
8937 CA CT gb_27
8938 CB CG gb_27
8939 CG CD gb_27
8940 CD OE1 gb_6
8941 CD OE2 gb_6
8942 CT O1 gb_6
8943 CT O2 gb_6
8944 [ exclusions ]
8945 ; ai aj
8946 N1 HA3
8947 N1 C4
8948 N1 N5
8949 N1 C7
8950 C2 OA4
8951 C2 C4A
8952 C2 N8
8953 NA2 HA3
8954 NA2 C4
8955 NA2 C8A
8956 N3 N5
8957 N3 C8A
8958 HA3 OA4
8959 HA3 C4A
8960 C4 C6
8961 C4 N8
8962 OA4 N5
8963 OA4 C8A
8964 C4A C7
8965 C4A C9
8966 N5 N8
8967 C6 C8A
8968 N8 C9
8969 N10 C12
8970 N10 C16
8971 C14 C11
8972 C13 C16
8973 C13 C
8974 C15 C12
8975 C15 C
8976 [ angles ]
8977 ; ai aj ak gromos type
8978 C2 N1 C8A ga_27
8979 N1 C2 NA2 ga_27
8980 N1 C2 N3 ga_27
8981 NA2 C2 N3 ga_27
8982 C2 NA2 HA21 ga_23
8983 C2 NA2 HA22 ga_23
8984 HA21 NA2 HA22 ga_24
8985 C2 N3 HA3 ga_25
8986 C2 N3 C4 ga_27
8987 HA3 N3 C4 ga_25
8988 N3 C4 OA4 ga_27
8989 N3 C4 C4A ga_27
8990 OA4 C4 C4A ga_27
8991 C4 C4A N5 ga_27
8992 C4 C4A C8A ga_27
8993 N5 C4A C8A ga_27
8994 C4A N5 C6 ga_27
8995 N5 C6 C7 ga_27
8996 N5 C6 C9 ga_27
8997 C7 C6 C9 ga_27
8998 C6 C7 N8 ga_27
8999 C7 N8 C8A ga_27
9000 N1 C8A C4A ga_27
9001 N1 C8A N8 ga_27
9002 C4A C8A N8 ga_27
9003 C6 C9 N10 ga_15
9004 C9 N10 H10 ga_20
9005 C9 N10 C14 ga_33
9006 H10 N10 C14 ga_23
9007 N10 C14 C13 ga_27
9008 N10 C14 C15 ga_27
9009 C13 C14 C15 ga_27
9010 C14 C13 C12 ga_27
9011 C14 C15 C16 ga_27
9012 C13 C12 C11 ga_27
9013 C15 C16 C11 ga_27
9014 C12 C11 C16 ga_27
9015 C12 C11 C ga_27
9016 C16 C11 C ga_27
9017 C11 C O ga_30
9018 C11 C N ga_19
9019 O C N ga_33
9020 C N H ga_32
9021 C N CA ga_31
9022 H N CA ga_18
9023 N CA CB ga_13
9024 N CA CT ga_13
9025 CB CA CT ga_13
9026 CA CB CG ga_15
9027 CB CG CD ga_15
9028 CG CD OE1 ga_22
9029 CG CD OE2 ga_22
9030 OE1 CD OE2 ga_38
9031 CA CT O1 ga_22
9032 CA CT O2 ga_22
9033 O1 CT O2 ga_38
9034 [ impropers ]
9035 ; ai aj ak al gromos type
9036 N1 C2 N3 C4 gi_1
9037 C2 N1 N3 NA2 gi_1
9038 C2 N1 C8A C4A gi_1
9039 C2 N3 C4 C4A gi_1
9040 NA2 HA21 HA22 C2 gi_1
9041 N3 C2 C4 HA3 gi_1
9042 N3 C4 C4A C8A gi_1
9043 C4 N3 C4A OA4 gi_1
9044 C4 C4A C8A N1 gi_1
9045 C4A C4 N5 C8A gi_1
9046 C4A N5 C6 C7 gi_1
9047 N5 C4A C8A N8 gi_1
9048 N5 C6 C7 N8 gi_1
9049 C6 N5 C7 C9 gi_1
9050 C6 C7 N8 C8A gi_1
9051 C7 N8 C8A C4A gi_1
9052 C8A N1 C2 N3 gi_1
9053 C8A N1 N8 C4A gi_1
9054 C8A C4A N5 C6 gi_1
9055 N10 C9 C14 H10 gi_1
9056 C14 C13 C15 N10 gi_1
9057 C14 C13 C12 C11 gi_1
9058 C14 C15 C16 C11 gi_1
9059 C13 C14 C15 C16 gi_1
9060 C13 C12 C11 C16 gi_1
9061 C15 C14 C13 C12 gi_1
9062 C15 C16 C11 C12 gi_1
9063 C11 C12 C16 C gi_1
9064 C C11 N O gi_1
9065 N C CA H gi_1
9066 CA N CT CB gi_2
9067 CD OE1 OE2 CG gi_1
9068 CT CA O2 O1 gi_1
9069 [ dihedrals ]
9070 ; ai aj ak al gromos type
9071 N1 C2 NA2 HA21 gd_14
9072 N5 C6 C9 N10 gd_40
9073 C6 C9 N10 C14 gd_39
9074 C9 N10 C14 C13 gd_14
9075 C12 C11 C N gd_10
9076 C11 C N CA gd_14
9077 C N CA CT gd_39
9078 N CA CB CG gd_34
9079 N CA CT O1 gd_40
9080 CA CB CG CD gd_34
9081 CB CG CD OE1 gd_40
9083 [ DHF ]
9084 [ atoms ]
9085 N1 NR -0.36000 0
9086 C2 C 0.36000 0
9087 NA2 NT -0.83000 1
9088 HA21 H 0.41500 1
9089 HA22 H 0.41500 1
9090 N3 NR -0.28000 2
9091 HA3 H 0.28000 2
9092 C4 C 0.38000 3
9093 OA4 O -0.38000 3
9094 C4A C 0.00000 4
9095 N5 NR -0.36000 4
9096 C6 C 0.36000 4
9097 C7 CH2 0.00000 5
9098 N8 NR -0.28000 5
9099 HA8 H 0.28000 5
9100 C8A C 0.00000 5
9101 C9 CH2 0.00000 6
9102 N10 NE -0.28000 6
9103 H10 H 0.28000 6
9104 C14 C 0.00000 7
9105 C13 CR1 0.00000 7
9106 C15 CR1 0.00000 7
9107 C12 CR1 0.00000 8
9108 C16 CR1 0.00000 8
9109 C11 C 0.00000 8
9110 C C 0.38000 9
9111 O O -0.38000 9
9112 N N -0.28000 10
9113 H H 0.28000 10
9114 CA CH1 0.00000 11
9115 CB CH2 0.00000 11
9116 CG CH2 0.00000 11
9117 CD C 0.27000 12
9118 OE1 OM -0.63500 12
9119 OE2 OM -0.63500 12
9120 CT C 0.27000 13
9121 O1 OM -0.63500 13
9122 O2 OM -0.63500 13
9123 [ bonds ]
9124 N1 C2 gb_12
9125 N1 C8A gb_12
9126 C2 NA2 gb_9
9127 C2 N3 gb_17
9128 NA2 HA21 gb_2
9129 NA2 HA22 gb_2
9130 N3 HA3 gb_2
9131 N3 C4 gb_17
9132 C4 OA4 gb_5
9133 C4 C4A gb_16
9134 C4A N5 gb_12
9135 C4A C8A gb_16
9136 N5 C6 gb_12
9137 C6 C7 gb_15
9138 C6 C9 gb_27
9139 C7 N8 gb_17
9140 N8 HA8 gb_2
9141 N8 C8A gb_17
9142 C9 N10 gb_21
9143 N10 H10 gb_2
9144 N10 C14 gb_11
9145 C14 C13 gb_16
9146 C14 C15 gb_16
9147 C13 C12 gb_16
9148 C15 C16 gb_16
9149 C12 C11 gb_16
9150 C16 C11 gb_16
9151 C11 C gb_27
9152 C O gb_5
9153 C N gb_10
9154 N H gb_2
9155 N CA gb_21
9156 CA CB gb_27
9157 CA CT gb_27
9158 CB CG gb_27
9159 CG CD gb_27
9160 CD OE1 gb_6
9161 CD OE2 gb_6
9162 CT O1 gb_6
9163 CT O2 gb_6
9164 [ exclusions ]
9165 ; ai aj
9166 N1 HA3
9167 N1 C4
9168 N1 N5
9169 N1 C7
9170 N1 HA8
9171 C2 OA4
9172 C2 C4A
9173 C2 N8
9174 NA2 HA3
9175 NA2 C4
9176 NA2 C8A
9177 N3 N5
9178 N3 C8A
9179 HA3 OA4
9180 HA3 C4A
9181 C4 C6
9182 C4 N8
9183 OA4 N5
9184 OA4 C8A
9185 C4A C7
9186 C4A HA8
9187 C4A C9
9188 N5 N8
9189 C6 HA8
9190 C6 C8A
9191 N8 C9
9192 N10 C12
9193 N10 C16
9194 C14 C11
9195 C13 C16
9196 C13 C
9197 C15 C12
9198 C15 C
9199 [ angles ]
9200 ; ai aj ak gromos type
9201 C2 N1 C8A ga_27
9202 N1 C2 NA2 ga_27
9203 N1 C2 N3 ga_27
9204 NA2 C2 N3 ga_27
9205 C2 NA2 HA21 ga_23
9206 C2 NA2 HA22 ga_23
9207 HA21 NA2 HA22 ga_24
9208 C2 N3 HA3 ga_25
9209 C2 N3 C4 ga_27
9210 HA3 N3 C4 ga_25
9211 N3 C4 OA4 ga_27
9212 N3 C4 C4A ga_27
9213 OA4 C4 C4A ga_27
9214 C4 C4A N5 ga_27
9215 C4 C4A C8A ga_27
9216 N5 C4A C8A ga_27
9217 C4A N5 C6 ga_27
9218 N5 C6 C7 ga_27
9219 N5 C6 C9 ga_27
9220 C7 C6 C9 ga_27
9221 C6 C7 N8 ga_27
9222 C7 N8 HA8 ga_25
9223 C7 N8 C8A ga_27
9224 HA8 N8 C8A ga_25
9225 N1 C8A C4A ga_27
9226 N1 C8A N8 ga_27
9227 C4A C8A N8 ga_27
9228 C6 C9 N10 ga_15
9229 C9 N10 H10 ga_20
9230 C9 N10 C14 ga_33
9231 H10 N10 C14 ga_23
9232 N10 C14 C13 ga_27
9233 N10 C14 C15 ga_27
9234 C13 C14 C15 ga_27
9235 C14 C13 C12 ga_27
9236 C14 C15 C16 ga_27
9237 C13 C12 C11 ga_27
9238 C15 C16 C11 ga_27
9239 C12 C11 C16 ga_27
9240 C12 C11 C ga_27
9241 C16 C11 C ga_27
9242 C11 C O ga_30
9243 C11 C N ga_19
9244 O C N ga_33
9245 C N H ga_32
9246 C N CA ga_31
9247 H N CA ga_18
9248 N CA CB ga_13
9249 N CA CT ga_13
9250 CB CA CT ga_13
9251 CA CB CG ga_15
9252 CB CG CD ga_15
9253 CG CD OE1 ga_22
9254 CG CD OE2 ga_22
9255 OE1 CD OE2 ga_38
9256 CA CT O1 ga_22
9257 CA CT O2 ga_22
9258 O1 CT O2 ga_38
9259 [ impropers ]
9260 ; ai aj ak al gromos type
9261 N1 C2 N3 C4 gi_1
9262 C2 N1 N3 NA2 gi_1
9263 C2 N1 C8A C4A gi_1
9264 C2 N3 C4 C4A gi_1
9265 NA2 HA21 HA22 C2 gi_1
9266 N3 C2 C4 HA3 gi_1
9267 N3 C4 C4A C8A gi_1
9268 C4 N3 C4A OA4 gi_1
9269 C4 C4A C8A N1 gi_1
9270 C4A C4 N5 C8A gi_1
9271 C4A N5 C6 C7 gi_1
9272 N5 C4A C8A N8 gi_1
9273 N5 C6 C7 N8 gi_1
9274 C6 N5 C7 C9 gi_1
9275 C6 C7 N8 C8A gi_1
9276 C7 N8 C8A C4A gi_1
9277 N8 C7 C8A HA8 gi_1
9278 C8A N1 C2 N3 gi_1
9279 C8A N1 N8 C4A gi_1
9280 C8A C4A N5 C6 gi_1
9281 N10 C9 C14 H10 gi_1
9282 C14 C13 C15 N10 gi_1
9283 C14 C13 C12 C11 gi_1
9284 C14 C15 C16 C11 gi_1
9285 C13 C14 C15 C16 gi_1
9286 C13 C12 C11 C16 gi_1
9287 C15 C14 C13 C12 gi_1
9288 C15 C16 C11 C12 gi_1
9289 C11 C12 C16 C gi_1
9290 C C11 N O gi_1
9291 N C CA H gi_1
9292 CA N CT CB gi_2
9293 CD OE1 OE2 CG gi_1
9294 CT CA O2 O1 gi_1
9295 [ dihedrals ]
9296 ; ai aj ak al gromos type
9297 N1 C2 NA2 HA21 gd_14
9298 N5 C6 C9 N10 gd_40
9299 C6 C9 N10 C14 gd_39
9300 C9 N10 C14 C13 gd_14
9301 C12 C11 C N gd_10
9302 C11 C N CA gd_14
9303 C N CA CT gd_39
9304 N CA CB CG gd_34
9305 N CA CT O1 gd_40
9306 CA CB CG CD gd_34
9307 CB CG CD OE1 gd_40
9309 [ THF ]
9310 [ atoms ]
9311 N1 NR -0.36000 0
9312 C2 C 0.36000 0
9313 NA2 NT -0.83000 1
9314 HA21 H 0.41500 1
9315 HA22 H 0.41500 1
9316 N3 NR -0.28000 2
9317 HA3 H 0.28000 2
9318 C4 C 0.38000 3
9319 OA4 O -0.38000 3
9320 C4A C 0.00000 4
9321 N5 NR -0.28000 4
9322 HA5 H 0.28000 4
9323 C6 CH1 0.00000 4
9324 C7 CH2 0.00000 5
9325 N8 NR -0.28000 5
9326 HA8 H 0.28000 5
9327 C8A C 0.00000 5
9328 C9 CH2 0.00000 6
9329 N10 NE -0.28000 6
9330 H10 H 0.28000 6
9331 C14 C 0.00000 7
9332 C13 CR1 0.00000 7
9333 C15 CR1 0.00000 7
9334 C12 CR1 0.00000 8
9335 C16 CR1 0.00000 8
9336 C11 C 0.00000 8
9337 C C 0.38000 9
9338 O O -0.38000 9
9339 N N -0.28000 10
9340 H H 0.28000 10
9341 CA CH1 0.00000 11
9342 CB CH2 0.00000 11
9343 CG CH2 0.00000 11
9344 CD C 0.27000 12
9345 OE1 OM -0.63500 12
9346 OE2 OM -0.63500 12
9347 CT C 0.27000 13
9348 O1 OM -0.63500 13
9349 O2 OM -0.63500 13
9350 [ bonds ]
9351 N1 C2 gb_12
9352 N1 C8A gb_12
9353 C2 NA2 gb_9
9354 C2 N3 gb_17
9355 NA2 HA21 gb_2
9356 NA2 HA22 gb_2
9357 N3 HA3 gb_2
9358 N3 C4 gb_17
9359 C4 OA4 gb_5
9360 C4 C4A gb_16
9361 C4A N5 gb_17
9362 C4A C8A gb_16
9363 N5 HA5 gb_2
9364 N5 C6 gb_23
9365 C6 C7 gb_26
9366 C6 C9 gb_27
9367 C7 N8 gb_23
9368 N8 HA8 gb_2
9369 N8 C8A gb_17
9370 C9 N10 gb_21
9371 N10 H10 gb_2
9372 N10 C14 gb_11
9373 C14 C13 gb_16
9374 C14 C15 gb_16
9375 C13 C12 gb_16
9376 C15 C16 gb_16
9377 C12 C11 gb_16
9378 C16 C11 gb_16
9379 C11 C gb_27
9380 C O gb_5
9381 C N gb_10
9382 N H gb_2
9383 N CA gb_21
9384 CA CB gb_27
9385 CA CT gb_27
9386 CB CG gb_27
9387 CG CD gb_27
9388 CD OE1 gb_6
9389 CD OE2 gb_6
9390 CT O1 gb_6
9391 CT O2 gb_6
9392 [ exclusions ]
9393 ; ai aj
9394 N1 HA3
9395 N1 C4
9396 N1 N5
9397 C2 OA4
9398 C2 C4A
9399 C2 N8
9400 NA2 HA3
9401 NA2 C4
9402 NA2 C8A
9403 N3 N5
9404 N3 C8A
9405 HA3 OA4
9406 HA3 C4A
9407 C4 N8
9408 OA4 N5
9409 OA4 C8A
9410 N10 C12
9411 N10 C16
9412 C14 C11
9413 C13 C16
9414 C13 C
9415 C15 C12
9416 C15 C
9417 [ angles ]
9418 ; ai aj ak gromos type
9419 C2 N1 C8A ga_27
9420 N1 C2 NA2 ga_27
9421 N1 C2 N3 ga_27
9422 NA2 C2 N3 ga_27
9423 C2 NA2 HA21 ga_23
9424 C2 NA2 HA22 ga_23
9425 HA21 NA2 HA22 ga_24
9426 C2 N3 HA3 ga_25
9427 C2 N3 C4 ga_27
9428 HA3 N3 C4 ga_25
9429 N3 C4 OA4 ga_27
9430 N3 C4 C4A ga_27
9431 OA4 C4 C4A ga_27
9432 C4 C4A N5 ga_27
9433 C4 C4A C8A ga_27
9434 N5 C4A C8A ga_27
9435 C4A N5 HA5 ga_25
9436 C4A N5 C6 ga_27
9437 HA5 N5 C6 ga_25
9438 N5 C6 C7 ga_8
9439 N5 C6 C9 ga_8
9440 C7 C6 C9 ga_8
9441 C6 C7 N8 ga_8
9442 C7 N8 HA8 ga_25
9443 C7 N8 C8A ga_27
9444 HA8 N8 C8A ga_25
9445 N1 C8A C4A ga_27
9446 N1 C8A N8 ga_27
9447 C4A C8A N8 ga_27
9448 C6 C9 N10 ga_15
9449 C9 N10 H10 ga_20
9450 C9 N10 C14 ga_33
9451 H10 N10 C14 ga_23
9452 N10 C14 C13 ga_27
9453 N10 C14 C15 ga_27
9454 C13 C14 C15 ga_27
9455 C14 C13 C12 ga_27
9456 C14 C15 C16 ga_27
9457 C13 C12 C11 ga_27
9458 C15 C16 C11 ga_27
9459 C12 C11 C16 ga_27
9460 C12 C11 C ga_27
9461 C16 C11 C ga_27
9462 C11 C O ga_30
9463 C11 C N ga_19
9464 O C N ga_33
9465 C N H ga_32
9466 C N CA ga_31
9467 H N CA ga_18
9468 N CA CB ga_13
9469 N CA CT ga_13
9470 CB CA CT ga_13
9471 CA CB CG ga_15
9472 CB CG CD ga_15
9473 CG CD OE1 ga_22
9474 CG CD OE2 ga_22
9475 OE1 CD OE2 ga_38
9476 CA CT O1 ga_22
9477 CA CT O2 ga_22
9478 O1 CT O2 ga_38
9479 [ impropers ]
9480 ; ai aj ak al gromos type
9481 N1 C2 N3 C4 gi_1
9482 C2 N1 N3 NA2 gi_1
9483 C2 N1 C8A C4A gi_1
9484 C2 N3 C4 C4A gi_1
9485 NA2 HA21 HA22 C2 gi_1
9486 N3 C2 C4 HA3 gi_1
9487 N3 C4 C4A C8A gi_1
9488 C4 N3 C4A OA4 gi_1
9489 C4 C4A C8A N1 gi_1
9490 C4A C4 N5 C8A gi_1
9491 C4A N5 C6 C7 gi_1
9492 N5 C4A C6 HA5 gi_1
9493 N5 C4A C8A N8 gi_1
9494 N5 C6 C7 N8 gi_1
9495 C6 N5 C7 C9 gi_1
9496 C6 C7 N8 C8A gi_1
9497 C7 N8 C8A C4A gi_1
9498 N8 C7 C8A HA8 gi_1
9499 C8A N1 C2 N3 gi_1
9500 C8A N1 N8 C4A gi_1
9501 C8A C4A N5 C6 gi_1
9502 N10 C9 C14 H10 gi_1
9503 C14 C13 C15 N10 gi_1
9504 C14 C13 C12 C11 gi_1
9505 C14 C15 C16 C11 gi_1
9506 C13 C14 C15 C16 gi_1
9507 C13 C12 C11 C16 gi_1
9508 C15 C14 C13 C12 gi_1
9509 C15 C16 C11 C12 gi_1
9510 C11 C12 C16 C gi_1
9511 C C11 N O gi_1
9512 N C CA H gi_1
9513 CA N CT CB gi_2
9514 CD OE1 OE2 CG gi_1
9515 CT CA O2 O1 gi_1
9516 [ dihedrals ]
9517 ; ai aj ak al gromos type
9518 N1 C2 NA2 HA21 gd_14
9519 N5 C6 C9 N10 gd_40
9520 C6 C9 N10 C14 gd_39
9521 C9 N10 C14 C13 gd_14
9522 C12 C11 C N gd_10
9523 C11 C N CA gd_14
9524 C N CA CT gd_39
9525 N CA CB CG gd_34
9526 N CA CT O1 gd_40
9527 CA CB CG CD gd_34
9528 CB CG CD OE1 gd_40
9530 [ TMP ]
9531 [ atoms ]
9532 N1 NR -0.36000 0
9533 C2 C 0.36000 0
9534 NA2 NT -0.83000 1
9535 HA21 H 0.41500 1
9536 HA22 H 0.41500 1
9537 N3 NR -0.36000 2
9538 C4 C 0.36000 2
9539 NA4 NT -0.83000 3
9540 HA41 H 0.41500 3
9541 HA42 H 0.41500 3
9542 C5 C 0.00000 4
9543 C6 CR1 0.00000 4
9544 C7 CH2 0.00000 4
9545 C11 C 0.00000 5
9546 C12 CR1 0.00000 5
9547 C16 CR1 0.00000 5
9548 C13 C 0.18000 6
9549 O13 OA -0.36000 6
9550 CM13 CH3 0.18000 6
9551 C15 C 0.18000 7
9552 O15 OA -0.36000 7
9553 CM15 CH3 0.18000 7
9554 C14 C 0.18000 8
9555 O14 OA -0.36000 8
9556 CM14 CH3 0.18000 8
9557 [ bonds ]
9558 N1 C2 gb_12
9559 N1 C6 gb_7
9560 C2 NA2 gb_9
9561 C2 N3 gb_12
9562 NA2 HA21 gb_2
9563 NA2 HA22 gb_2
9564 N3 C4 gb_12
9565 C4 NA4 gb_9
9566 C4 C5 gb_16
9567 NA4 HA41 gb_2
9568 NA4 HA42 gb_2
9569 C5 C6 gb_16
9570 C5 C7 gb_27
9571 C7 C11 gb_27
9572 C11 C12 gb_16
9573 C11 C16 gb_16
9574 C12 C13 gb_16
9575 C16 C15 gb_16
9576 C13 O13 gb_13
9577 C13 C14 gb_16
9578 O13 CM13 gb_18
9579 C15 O15 gb_13
9580 C15 C14 gb_16
9581 O15 CM15 gb_18
9582 C14 O14 gb_13
9583 O14 CM14 gb_18
9584 [ exclusions ]
9585 ; ai aj
9586 N1 C4
9587 N1 C7
9588 C2 NA4
9589 C2 C5
9590 NA2 C4
9591 NA2 C6
9592 N3 C6
9593 N3 C7
9594 C7 C13
9595 C7 C15
9596 C11 O13
9597 C11 O15
9598 C11 C14
9599 C12 C15
9600 C12 O14
9601 C16 C13
9602 C16 O14
9603 C13 O15
9604 O13 C15
9605 O13 O14
9606 O15 O14
9607 [ angles ]
9608 ; ai aj ak gromos type
9609 C2 N1 C6 ga_27
9610 N1 C2 NA2 ga_27
9611 N1 C2 N3 ga_27
9612 NA2 C2 N3 ga_27
9613 C2 NA2 HA21 ga_23
9614 C2 NA2 HA22 ga_23
9615 HA21 NA2 HA22 ga_24
9616 C2 N3 C4 ga_27
9617 N3 C4 NA4 ga_27
9618 N3 C4 C5 ga_27
9619 NA4 C4 C5 ga_27
9620 C4 NA4 HA41 ga_23
9621 C4 NA4 HA42 ga_23
9622 HA41 NA4 HA42 ga_24
9623 C4 C5 C6 ga_27
9624 C4 C5 C7 ga_27
9625 C6 C5 C7 ga_27
9626 N1 C6 C5 ga_27
9627 C5 C7 C11 ga_15
9628 C7 C11 C12 ga_27
9629 C7 C11 C16 ga_27
9630 C12 C11 C16 ga_27
9631 C11 C12 C13 ga_27
9632 C11 C16 C15 ga_27
9633 C12 C13 O13 ga_27
9634 C12 C13 C14 ga_27
9635 O13 C13 C14 ga_27
9636 C13 O13 CM13 ga_20
9637 C16 C15 O15 ga_27
9638 C16 C15 C14 ga_27
9639 O15 C15 C14 ga_27
9640 C15 O15 CM15 ga_20
9641 C13 C14 C15 ga_27
9642 C13 C14 O14 ga_27
9643 C15 C14 O14 ga_27
9644 C14 O14 CM14 ga_20
9645 [ impropers ]
9646 ; ai aj ak al gromos type
9647 N1 C2 N3 C4 gi_1
9648 C2 N1 N3 NA2 gi_1
9649 C2 N1 C6 C5 gi_1
9650 C2 N3 C4 C5 gi_1
9651 NA2 HA21 HA22 C2 gi_1
9652 N3 C4 C5 C6 gi_1
9653 C4 N3 C5 NA4 gi_1
9654 C4 C5 C6 N1 gi_1
9655 NA4 HA41 HA42 C4 gi_1
9656 C5 C4 C6 C7 gi_1
9657 C6 N1 C2 N3 gi_1
9658 C11 C12 C16 C7 gi_1
9659 C11 C12 C13 C14 gi_1
9660 C11 C16 C15 C14 gi_1
9661 C12 C11 C16 C15 gi_1
9662 C12 C13 C14 C15 gi_1
9663 C16 C11 C12 C13 gi_1
9664 C16 C15 C14 C13 gi_1
9665 C13 C12 O13 C14 gi_1
9666 C15 C16 O15 C14 gi_1
9667 C14 C13 O14 C15 gi_1
9668 [ dihedrals ]
9669 ; ai aj ak al gromos type
9670 N1 C2 NA2 HA21 gd_14
9671 C5 C4 NA4 HA41 gd_14
9672 C4 C5 C7 C11 gd_40
9673 C5 C7 C11 C12 gd_40
9674 C12 C13 O13 CM13 gd_11
9675 C12 C13 O13 CM13 gd_12
9676 C16 C15 O15 CM15 gd_11
9677 C16 C15 O15 CM15 gd_12
9678 C13 C14 O14 CM14 gd_11
9680 [ TMPH ]
9681 [ atoms ]
9682 N1 NR -0.28000 0
9683 HA1 H 0.28000 0
9684 C2 C 0.00000 0
9685 NA2 NT -0.83000 1
9686 HA21 H 0.41500 1
9687 HA22 H 0.41500 1
9688 N3 NR -0.36000 2
9689 C4 C 0.36000 2
9690 NA4 NT -0.83000 3
9691 HA41 H 0.41500 3
9692 HA42 H 0.41500 3
9693 C5 C 0.00000 4
9694 C6 CR1 0.00000 4
9695 C7 CH2 0.00000 4
9696 C11 C 0.00000 5
9697 C12 CR1 0.00000 5
9698 C16 CR1 0.00000 5
9699 C13 C 0.18000 6
9700 O13 OA -0.36000 6
9701 CM13 CH3 0.18000 6
9702 C15 C 0.18000 7
9703 O15 OA -0.36000 7
9704 CM15 CH3 0.18000 7
9705 C14 C 0.18000 8
9706 O14 OA -0.36000 8
9707 CM14 CH3 0.18000 8
9708 [ bonds ]
9709 N1 HA1 gb_2
9710 N1 C2 gb_17
9711 N1 C6 gb_17
9712 C2 NA2 gb_9
9713 C2 N3 gb_12
9714 NA2 HA21 gb_2
9715 NA2 HA22 gb_2
9716 N3 C4 gb_12
9717 C4 NA4 gb_9
9718 C4 C5 gb_16
9719 NA4 HA41 gb_2
9720 NA4 HA42 gb_2
9721 C5 C6 gb_16
9722 C5 C7 gb_27
9723 C7 C11 gb_27
9724 C11 C12 gb_16
9725 C11 C16 gb_16
9726 C12 C13 gb_16
9727 C16 C15 gb_16
9728 C13 O13 gb_13
9729 C13 C14 gb_16
9730 O13 CM13 gb_18
9731 C15 O15 gb_13
9732 C15 C14 gb_16
9733 O15 CM15 gb_18
9734 C14 O14 gb_13
9735 O14 CM14 gb_18
9736 [ exclusions ]
9737 ; ai aj
9738 N1 C4
9739 N1 C7
9740 HA1 NA2
9741 HA1 N3
9742 HA1 C5
9743 C2 NA4
9744 C2 C5
9745 NA2 C4
9746 NA2 C6
9747 N3 C6
9748 N3 C7
9749 NA4 C6
9750 NA4 C7
9751 C7 C13
9752 C7 C15
9753 C11 O13
9754 C11 O15
9755 C11 C14
9756 C12 C15
9757 C12 O14
9758 C16 C13
9759 C16 O14
9760 C13 O15
9761 O13 C15
9762 O13 O14
9763 O15 O14
9764 [ angles ]
9765 ; ai aj ak gromos type
9766 HA1 N1 C2 ga_25
9767 HA1 N1 C6 ga_25
9768 C2 N1 C6 ga_27
9769 N1 C2 NA2 ga_27
9770 N1 C2 N3 ga_27
9771 NA2 C2 N3 ga_27
9772 C2 NA2 HA21 ga_23
9773 C2 NA2 HA22 ga_23
9774 HA21 NA2 HA22 ga_24
9775 C2 N3 C4 ga_27
9776 N3 C4 NA4 ga_27
9777 N3 C4 C5 ga_27
9778 NA4 C4 C5 ga_27
9779 C4 NA4 HA41 ga_23
9780 C4 NA4 HA42 ga_23
9781 HA41 NA4 HA42 ga_24
9782 C4 C5 C6 ga_27
9783 C4 C5 C7 ga_27
9784 C6 C5 C7 ga_27
9785 N1 C6 C5 ga_27
9786 C5 C7 C11 ga_15
9787 C7 C11 C12 ga_27
9788 C7 C11 C16 ga_27
9789 C12 C11 C16 ga_27
9790 C11 C12 C13 ga_27
9791 C11 C16 C15 ga_27
9792 C12 C13 O13 ga_27
9793 C12 C13 C14 ga_27
9794 O13 C13 C14 ga_27
9795 C13 O13 CM13 ga_20
9796 C16 C15 O15 ga_27
9797 C16 C15 C14 ga_27
9798 O15 C15 C14 ga_27
9799 C15 O15 CM15 ga_20
9800 C13 C14 C15 ga_27
9801 C13 C14 O14 ga_27
9802 C15 C14 O14 ga_27
9803 C14 O14 CM14 ga_20
9804 [ impropers ]
9805 ; ai aj ak al gromos type
9806 N1 C2 N3 C4 gi_1
9807 N1 C2 C6 HA1 gi_1
9808 C2 N1 N3 NA2 gi_1
9809 C2 N1 C6 C5 gi_1
9810 C2 N3 C4 C5 gi_1
9811 NA2 HA21 HA22 C2 gi_1
9812 N3 C4 C5 C6 gi_1
9813 C4 N3 C5 NA4 gi_1
9814 C4 C5 C6 N1 gi_1
9815 NA4 HA41 HA42 C4 gi_1
9816 C5 C4 C6 C7 gi_1
9817 C6 N1 C2 N3 gi_1
9818 C11 C12 C16 C7 gi_1
9819 C11 C12 C13 C14 gi_1
9820 C11 C16 C15 C14 gi_1
9821 C12 C11 C16 C15 gi_1
9822 C12 C13 C14 C15 gi_1
9823 C16 C11 C12 C13 gi_1
9824 C16 C15 C14 C13 gi_1
9825 C13 C12 O13 C14 gi_1
9826 C15 C16 O15 C14 gi_1
9827 C14 C13 O14 C15 gi_1
9828 [ dihedrals ]
9829 ; ai aj ak al gromos type
9830 N1 C2 NA2 HA21 gd_14
9831 C5 C4 NA4 HA41 gd_14
9832 C4 C5 C7 C11 gd_40
9833 C5 C7 C11 C12 gd_40
9834 C12 C13 O13 CM13 gd_11
9835 C12 C13 O13 CM13 gd_12
9836 C16 C15 O15 CM15 gd_11
9837 C16 C15 O15 CM15 gd_12
9838 C13 C14 O14 CM14 gd_11
9840 [ TMPHP ]
9841 [ atoms ]
9842 N1 NR -0.36000 0
9843 HA1 H 0.36000 0
9844 C2 C 0.60000 0
9845 NA2 NT -0.73000 1
9846 HA21 H 0.41500 1
9847 HA22 H 0.41500 1
9848 N3 NR -0.36000 2
9849 C4 C 0.36000 2
9850 NA4 NT -0.83000 3
9851 HA41 H 0.41500 3
9852 HA42 H 0.41500 3
9853 C5 C 0.10000 4
9854 C6 CR1 0.20000 4
9855 C7 CH2 0.00000 4
9856 C11 C 0.00000 5
9857 C12 CR1 0.00000 5
9858 C16 CR1 0.00000 5
9859 C13 C 0.18000 6
9860 O13 OA -0.36000 6
9861 CM13 CH3 0.18000 6
9862 C15 C 0.18000 7
9863 O15 OA -0.36000 7
9864 CM15 CH3 0.18000 7
9865 C14 C 0.18000 8
9866 O14 OA -0.36000 8
9867 CM14 CH3 0.18000 8
9868 [ bonds ]
9869 N1 HA1 gb_2
9870 N1 C2 gb_17
9871 N1 C6 gb_17
9872 C2 NA2 gb_9
9873 C2 N3 gb_12
9874 NA2 HA21 gb_2
9875 NA2 HA22 gb_2
9876 N3 C4 gb_12
9877 C4 NA4 gb_9
9878 C4 C5 gb_16
9879 NA4 HA41 gb_2
9880 NA4 HA42 gb_2
9881 C5 C6 gb_16
9882 C5 C7 gb_27
9883 C7 C11 gb_27
9884 C11 C12 gb_16
9885 C11 C16 gb_16
9886 C12 C13 gb_16
9887 C16 C15 gb_16
9888 C13 O13 gb_13
9889 C13 C14 gb_16
9890 O13 CM13 gb_18
9891 C15 O15 gb_13
9892 C15 C14 gb_16
9893 O15 CM15 gb_18
9894 C14 O14 gb_13
9895 O14 CM14 gb_18
9896 [ exclusions ]
9897 ; ai aj
9898 N1 C4
9899 N1 C7
9900 HA1 NA2
9901 HA1 N3
9902 HA1 C5
9903 C2 NA4
9904 C2 C5
9905 NA2 C4
9906 NA2 C6
9907 N3 C6
9908 N3 C7
9909 NA4 C6
9910 NA4 C7
9911 C7 C13
9912 C7 C15
9913 C11 O13
9914 C11 O15
9915 C11 C14
9916 C12 C15
9917 C12 O14
9918 C16 C13
9919 C16 O14
9920 C13 O15
9921 O13 C15
9922 O13 O14
9923 O15 O14
9924 [ angles ]
9925 ; ai aj ak gromos type
9926 HA1 N1 C2 ga_25
9927 HA1 N1 C6 ga_25
9928 C2 N1 C6 ga_27
9929 N1 C2 NA2 ga_27
9930 N1 C2 N3 ga_27
9931 NA2 C2 N3 ga_27
9932 C2 NA2 HA21 ga_23
9933 C2 NA2 HA22 ga_23
9934 HA21 NA2 HA22 ga_24
9935 C2 N3 C4 ga_27
9936 N3 C4 NA4 ga_27
9937 N3 C4 C5 ga_27
9938 NA4 C4 C5 ga_27
9939 C4 NA4 HA41 ga_23
9940 C4 NA4 HA42 ga_23
9941 HA41 NA4 HA42 ga_24
9942 C4 C5 C6 ga_27
9943 C4 C5 C7 ga_27
9944 C6 C5 C7 ga_27
9945 N1 C6 C5 ga_27
9946 C5 C7 C11 ga_15
9947 C7 C11 C12 ga_27
9948 C7 C11 C16 ga_27
9949 C12 C11 C16 ga_27
9950 C11 C12 C13 ga_27
9951 C11 C16 C15 ga_27
9952 C12 C13 O13 ga_27
9953 C12 C13 C14 ga_27
9954 O13 C13 C14 ga_27
9955 C13 O13 CM13 ga_20
9956 C16 C15 O15 ga_27
9957 C16 C15 C14 ga_27
9958 O15 C15 C14 ga_27
9959 C15 O15 CM15 ga_20
9960 C13 C14 C15 ga_27
9961 C13 C14 O14 ga_27
9962 C15 C14 O14 ga_27
9963 C14 O14 CM14 ga_20
9964 [ impropers ]
9965 ; ai aj ak al gromos type
9966 N1 C2 N3 C4 gi_1
9967 N1 C2 C6 HA1 gi_1
9968 C2 N1 N3 NA2 gi_1
9969 C2 N1 C6 C5 gi_1
9970 C2 N3 C4 C5 gi_1
9971 NA2 HA21 HA22 C2 gi_1
9972 N3 C4 C5 C6 gi_1
9973 C4 N3 C5 NA4 gi_1
9974 C4 C5 C6 N1 gi_1
9975 NA4 HA41 HA42 C4 gi_1
9976 C5 C4 C6 C7 gi_1
9977 C6 N1 C2 N3 gi_1
9978 C11 C12 C16 C7 gi_1
9979 C11 C12 C13 C14 gi_1
9980 C11 C16 C15 C14 gi_1
9981 C12 C11 C16 C15 gi_1
9982 C12 C13 C14 C15 gi_1
9983 C16 C11 C12 C13 gi_1
9984 C16 C15 C14 C13 gi_1
9985 C13 C12 O13 C14 gi_1
9986 C15 C16 O15 C14 gi_1
9987 C14 C13 O14 C15 gi_1
9988 [ dihedrals ]
9989 ; ai aj ak al gromos type
9990 N1 C2 NA2 HA21 gd_14
9991 C5 C4 NA4 HA41 gd_14
9992 C4 C5 C7 C11 gd_40
9993 C5 C7 C11 C12 gd_40
9994 C12 C13 O13 CM13 gd_11
9995 C12 C13 O13 CM13 gd_12
9996 C16 C15 O15 CM15 gd_11
9997 C16 C15 O15 CM15 gd_12
9998 C13 C14 O14 CM14 gd_11
10000 [ PDG ]
10001 [ atoms ]
10002 P P 0.63000 0
10003 O1P OM -0.63500 0
10004 O2P OM -0.63500 0
10005 O3P OA -0.54800 0
10006 H3P H 0.39800 0
10007 O4P OA -0.36000 0
10008 C1 CH2 0.15000 0
10009 C2 CH1 0.15000 1
10010 O2 OA -0.54800 1
10011 H2 H 0.39800 1
10012 C3 C 0.27000 2
10013 OT1 OM -0.63500 2
10014 OT2 OM -0.63500 2
10015 [ bonds ]
10016 P O1P gb_24
10017 P O2P gb_24
10018 P O3P gb_28
10019 P O4P gb_28
10020 O3P H3P gb_1
10021 O4P C1 gb_18
10022 C1 C2 gb_27
10023 C2 O2 gb_18
10024 C2 C3 gb_27
10025 O2 H2 gb_1
10026 C3 OT1 gb_6
10027 C3 OT2 gb_6
10028 [ exclusions ]
10029 ; ai aj
10030 O1P H3P
10031 O2P H3P
10032 H3P O4P
10033 [ angles ]
10034 ; ai aj ak gromos type
10035 O1P P O2P ga_29
10036 O1P P O3P ga_14
10037 O1P P O4P ga_14
10038 O2P P O3P ga_14
10039 O2P P O4P ga_14
10040 O3P P O4P ga_5
10041 P O3P H3P ga_12
10042 P O4P C1 ga_26
10043 O4P C1 C2 ga_15
10044 C1 C2 O2 ga_15
10045 C1 C2 C3 ga_13
10046 O2 C2 C3 ga_13
10047 C2 O2 H2 ga_12
10048 C2 C3 OT1 ga_22
10049 C2 C3 OT2 ga_22
10050 OT1 C3 OT2 ga_38
10051 [ impropers ]
10052 ; ai aj ak al gromos type
10053 C2 C1 C3 O2 gi_2
10054 C3 C2 OT2 OT1 gi_1
10055 [ dihedrals ]
10056 ; ai aj ak al gromos type
10057 O4P P O3P H3P gd_19
10058 O4P P O3P H3P gd_22
10059 O3P P O4P C1 gd_19
10060 O3P P O4P C1 gd_22
10061 P O4P C1 C2 gd_29
10062 O4P C1 C2 C3 gd_34
10063 C1 C2 O2 H2 gd_23
10064 C1 C2 C3 OT1 gd_40
10066 [ ATP ]
10067 [ atoms ]
10068 AN9 NR -0.20000 0
10069 AC4 C 0.20000 0
10070 AN3 NR -0.36000 1
10071 AC2 CR1 0.36000 1
10072 AN1 NR -0.36000 2
10073 AC6 C 0.36000 2
10074 AN6 NT -0.83000 3
10075 AH61 H 0.41500 3
10076 AH62 H 0.41500 3
10077 AC5 C 0.00000 4
10078 AN7 NR -0.36000 4
10079 AC8 CR1 0.36000 4
10080 AC1* CH1 0.20000 5
10081 AO4* OA -0.36000 5
10082 AC4* CH1 0.16000 5
10083 AC2* CH1 0.15000 6
10084 AO2* OA -0.54800 6
10085 AH2* H 0.39800 6
10086 AC3* CH1 0.15000 7
10087 AO3* OA -0.54800 7
10088 AH3* H 0.39800 7
10089 AC5* CH2 0.00000 8
10090 AO5* OA -0.36000 9
10091 APA P 0.70500 9
10092 AO1A OM -0.63500 9
10093 AO2A OM -0.63500 9
10094 AO3A OA -0.36000 10
10095 APB P 0.70500 10
10096 AO1B OM -0.63500 10
10097 AO2B OM -0.63500 10
10098 AO3B OA -0.36000 11
10099 APG P 0.63000 11
10100 AO1G OM -0.63500 11
10101 AO2G OM -0.63500 11
10102 AO3G OA -0.54800 11
10103 AH3G H 0.39800 11
10104 [ bonds ]
10105 AN9 AC4 gb_10
10106 AN9 AC8 gb_10
10107 AN9 AC1* gb_22
10108 AC4 AN3 gb_12
10109 AC4 AC5 gb_16
10110 AN3 AC2 gb_7
10111 AC2 AN1 gb_7
10112 AN1 AC6 gb_12
10113 AC6 AN6 gb_9
10114 AC6 AC5 gb_16
10115 AN6 AH61 gb_2
10116 AN6 AH62 gb_2
10117 AC5 AN7 gb_10
10118 AN7 AC8 gb_10
10119 AC1* AO4* gb_20
10120 AC1* AC2* gb_26
10121 AO4* AC4* gb_20
10122 AC4* AC3* gb_26
10123 AC4* AC5* gb_26
10124 AC2* AO2* gb_20
10125 AC2* AC3* gb_26
10126 AO2* AH2* gb_1
10127 AC3* AO3* gb_20
10128 AO3* AH3* gb_1
10129 AC5* AO5* gb_20
10130 AO5* APA gb_28
10131 APA AO1A gb_24
10132 APA AO2A gb_24
10133 APA AO3A gb_28
10134 AO3A APB gb_28
10135 APB AO1B gb_24
10136 APB AO2B gb_24
10137 APB AO3B gb_28
10138 AO3B APG gb_28
10139 APG AO1G gb_24
10140 APG AO2G gb_24
10141 APG AO3G gb_28
10142 AO3G AH3G gb_1
10143 [ exclusions ]
10144 ; ai aj
10145 AN9 AC2
10146 AN9 AC6
10147 AC4 AN1
10148 AC4 AN6
10149 AN3 AC6
10150 AN3 AN7
10151 AN3 AC8
10152 AN3 AC1*
10153 AC2 AN6
10154 AC2 AC5
10155 AN1 AN7
10156 AC6 AC8
10157 AC5 AC1*
10158 AN7 AC1*
10159 AO3B AH3G
10160 AO1G AH3G
10161 AO2G AH3G
10162 [ angles ]
10163 ; ai aj ak gromos type
10164 AC4 AN9 AC8 ga_7
10165 AC4 AN9 AC1* ga_37
10166 AC8 AN9 AC1* ga_37
10167 AN9 AC4 AN3 ga_39
10168 AN9 AC4 AC5 ga_7
10169 AN3 AC4 AC5 ga_27
10170 AC4 AN3 AC2 ga_27
10171 AN3 AC2 AN1 ga_27
10172 AC2 AN1 AC6 ga_27
10173 AN1 AC6 AN6 ga_27
10174 AN1 AC6 AC5 ga_27
10175 AN6 AC6 AC5 ga_27
10176 AC6 AN6 AH61 ga_23
10177 AC6 AN6 AH62 ga_23
10178 AH61 AN6 AH62 ga_24
10179 AC4 AC5 AC6 ga_27
10180 AC4 AC5 AN7 ga_7
10181 AC6 AC5 AN7 ga_39
10182 AC5 AN7 AC8 ga_7
10183 AN9 AC8 AN7 ga_7
10184 AN9 AC1* AO4* ga_9
10185 AN9 AC1* AC2* ga_9
10186 AO4* AC1* AC2* ga_9
10187 AC1* AO4* AC4* ga_10
10188 AO4* AC4* AC3* ga_9
10189 AO4* AC4* AC5* ga_9
10190 AC3* AC4* AC5* ga_8
10191 AC1* AC2* AO2* ga_9
10192 AC1* AC2* AC3* ga_8
10193 AO2* AC2* AC3* ga_9
10194 AC2* AO2* AH2* ga_12
10195 AC4* AC3* AC2* ga_8
10196 AC4* AC3* AO3* ga_9
10197 AC2* AC3* AO3* ga_9
10198 AC3* AO3* AH3* ga_12
10199 AC4* AC5* AO5* ga_9
10200 AC5* AO5* APA ga_26
10201 AO5* APA AO1A ga_14
10202 AO5* APA AO2A ga_14
10203 AO5* APA AO3A ga_5
10204 AO1A APA AO2A ga_29
10205 AO1A APA AO3A ga_14
10206 AO2A APA AO3A ga_14
10207 APA AO3A APB ga_26
10208 AO3A APB AO1B ga_14
10209 AO3A APB AO2B ga_14
10210 AO3A APB AO3B ga_5
10211 AO1B APB AO2B ga_29
10212 AO1B APB AO3B ga_14
10213 AO2B APB AO3B ga_14
10214 APB AO3B APG ga_26
10215 AO3B APG AO1G ga_14
10216 AO3B APG AO2G ga_14
10217 AO3B APG AO3G ga_5
10218 AO1G APG AO2G ga_29
10219 AO1G APG AO3G ga_14
10220 AO2G APG AO3G ga_14
10221 APG AO3G AH3G ga_12
10222 [ impropers ]
10223 ; ai aj ak al gromos type
10224 AN9 AC4 AC5 AN7 gi_1
10225 AC4 AN9 AN3 AC5 gi_1
10226 AC4 AN9 AC8 AN7 gi_1
10227 AC4 AN3 AC2 AN1 gi_1
10228 AC4 AC5 AN7 AC8 gi_1
10229 AN3 AC4 AC5 AC6 gi_1
10230 AN3 AC2 AN1 AC6 gi_1
10231 AC2 AN1 AC6 AC5 gi_1
10232 AN1 AC6 AC5 AC4 gi_1
10233 AN6 AN1 AC5 AC6 gi_1
10234 AN6 AH61 AH62 AC6 gi_1
10235 AC5 AC4 AN3 AC2 gi_1
10236 AC5 AC6 AN7 AC4 gi_1
10237 AC5 AN7 AC8 AN9 gi_1
10238 AC8 AN9 AC4 AC5 gi_1
10239 AC1* AN9 AO4* AC2* gi_2
10240 AC1* AC4 AC8 AN9 gi_1
10241 AC4* AO4* AC5* AC3* gi_2
10242 AC2* AO2* AC3* AC1* gi_2
10243 AC3* AC2* AO3* AC4* gi_2
10244 [ dihedrals ]
10245 ; ai aj ak al gromos type
10246 AC4 AN9 AC1* AO4* gd_16
10247 AC5 AC6 AN6 AH61 gd_14
10248 AC2* AC1* AO4* AC4* gd_29
10249 AN9 AC1* AC2* AO2* gd_17
10250 AO4* AC1* AC2* AO2* gd_18
10251 AO4* AC1* AC2* AC3* gd_17
10252 AO4* AC1* AC2* AC3* gd_34
10253 AC1* AO4* AC4* AC3* gd_29
10254 AO4* AC4* AC3* AC2* gd_17
10255 AO4* AC4* AC3* AO3* gd_18
10256 AC5* AC4* AC3* AC2* gd_34
10257 AC5* AC4* AC3* AO3* gd_17
10258 AO4* AC4* AC5* AO5* gd_18
10259 AC3* AC4* AC5* AO5* gd_17
10260 AC3* AC4* AC5* AO5* gd_34
10261 AC1* AC2* AO2* AH2* gd_23
10262 AC1* AC2* AC3* AC4* gd_34
10263 AC1* AC2* AC3* AO3* gd_17
10264 AO2* AC2* AC3* AC4* gd_17
10265 AO2* AC2* AC3* AO3* gd_18
10266 AC4* AC3* AO3* AH3* gd_23
10267 AC4* AC5* AO5* APA gd_29
10268 AC5* AO5* APA AO3A gd_19
10269 AC5* AO5* APA AO3A gd_22
10270 AO5* APA AO3A APB gd_19
10271 AO5* APA AO3A APB gd_22
10272 APA AO3A APB AO3B gd_19
10273 APA AO3A APB AO3B gd_22
10274 AO3A APB AO3B APG gd_19
10275 AO3A APB AO3B APG gd_22
10276 APB AO3B APG AO3G gd_19
10277 APB AO3B APG AO3G gd_22
10278 AO3B APG AO3G AH3G gd_19
10279 AO3B APG AO3G AH3G gd_22
10281 [ PMB ]
10282 [ atoms ]
10283 PC8 CH3 0.00000 0
10284 PC5 C 0.00000 0
10285 PC4 CR1 0.00000 0
10286 PC6 CR1 0.00000 0
10287 PC3 CR1 0.00000 1
10288 PC7 CR1 0.00000 1
10289 PC2 C 0.00000 1
10290 PC1 CH0 0.00000 2
10291 PO OM -0.60000 2
10292 PHC1 HC -0.20000 2
10293 PHC2 HC -0.20000 2
10294 [ bonds ]
10295 PC8 PC5 gb_27
10296 PC5 PC4 gb_16
10297 PC5 PC6 gb_16
10298 PC4 PC3 gb_16
10299 PC6 PC7 gb_16
10300 PC3 PC2 gb_16
10301 PC7 PC2 gb_16
10302 PC2 PC1 gb_27
10303 PC1 PO gb_19
10304 PC1 PHC1 gb_3
10305 PC1 PHC2 gb_3
10306 [ exclusions ]
10307 ; ai aj
10308 PC8 PC3
10309 PC8 PC7
10310 PC5 PC2
10311 PC4 PC7
10312 PC4 PC1
10313 PC6 PC3
10314 PC6 PC1
10315 [ angles ]
10316 ; ai aj ak gromos type
10317 PC8 PC5 PC4 ga_27
10318 PC8 PC5 PC6 ga_27
10319 PC4 PC5 PC6 ga_27
10320 PC5 PC4 PC3 ga_27
10321 PC5 PC6 PC7 ga_27
10322 PC4 PC3 PC2 ga_27
10323 PC6 PC7 PC2 ga_27
10324 PC3 PC2 PC7 ga_27
10325 PC3 PC2 PC1 ga_27
10326 PC7 PC2 PC1 ga_27
10327 PC2 PC1 PO ga_13
10328 PC2 PC1 PHC1 ga_11
10329 PC2 PC1 PHC2 ga_11
10330 PO PC1 PHC1 ga_11
10331 PO PC1 PHC2 ga_11
10332 PHC1 PC1 PHC2 ga_10
10333 [ impropers ]
10334 ; ai aj ak al gromos type
10335 PC5 PC4 PC6 PC8 gi_1
10336 PC5 PC4 PC3 PC2 gi_1
10337 PC5 PC6 PC7 PC2 gi_1
10338 PC4 PC5 PC6 PC7 gi_1
10339 PC4 PC3 PC2 PC7 gi_1
10340 PC6 PC5 PC4 PC3 gi_1
10341 PC6 PC7 PC2 PC3 gi_1
10342 PC2 PC3 PC7 PC1 gi_1
10343 [ dihedrals ]
10344 ; ai aj ak al gromos type
10345 PC3 PC2 PC1 PO gd_40
10347 [ PMBH ]
10348 [ atoms ]
10349 PC8 CH3 0.00000 0
10350 PC5 C 0.00000 0
10351 PC4 CR1 0.00000 0
10352 PC6 CR1 0.00000 0
10353 PC3 CR1 0.00000 1
10354 PC7 CR1 0.00000 1
10355 PC2 C 0.00000 1
10356 PC1 CH0 -0.05000 2
10357 PO OA -0.54800 2
10358 PH H 0.39800 2
10359 PHC1 HC 0.10000 2
10360 PHC2 HC 0.10000 2
10361 [ bonds ]
10362 PC8 PC5 gb_27
10363 PC5 PC4 gb_16
10364 PC5 PC6 gb_16
10365 PC4 PC3 gb_16
10366 PC6 PC7 gb_16
10367 PC3 PC2 gb_16
10368 PC7 PC2 gb_16
10369 PC2 PC1 gb_27
10370 PC1 PO gb_13
10371 PC1 PHC1 gb_3
10372 PC1 PHC2 gb_3
10373 PO PH gb_1
10374 [ exclusions ]
10375 ; ai aj
10376 PC8 PC3
10377 PC8 PC7
10378 PC5 PC2
10379 PC4 PC7
10380 PC4 PC1
10381 PC6 PC3
10382 PC6 PC1
10383 [ angles ]
10384 ; ai aj ak gromos type
10385 PC8 PC5 PC4 ga_27
10386 PC8 PC5 PC6 ga_27
10387 PC4 PC5 PC6 ga_27
10388 PC5 PC4 PC3 ga_27
10389 PC5 PC6 PC7 ga_27
10390 PC4 PC3 PC2 ga_27
10391 PC6 PC7 PC2 ga_27
10392 PC3 PC2 PC7 ga_27
10393 PC3 PC2 PC1 ga_27
10394 PC7 PC2 PC1 ga_27
10395 PC2 PC1 PO ga_13
10396 PC2 PC1 PHC1 ga_11
10397 PC2 PC1 PHC2 ga_11
10398 PO PC1 PHC1 ga_11
10399 PO PC1 PHC2 ga_11
10400 PHC1 PC1 PHC2 ga_10
10401 PC1 PO PH ga_12
10402 [ impropers ]
10403 ; ai aj ak al gromos type
10404 PC5 PC4 PC6 PC8 gi_1
10405 PC5 PC4 PC3 PC2 gi_1
10406 PC5 PC6 PC7 PC2 gi_1
10407 PC4 PC5 PC6 PC7 gi_1
10408 PC4 PC3 PC2 PC7 gi_1
10409 PC6 PC5 PC4 PC3 gi_1
10410 PC6 PC7 PC2 PC3 gi_1
10411 PC2 PC3 PC7 PC1 gi_1
10412 [ dihedrals ]
10413 ; ai aj ak al gromos type
10414 PC3 PC2 PC1 PO gd_40
10415 PC2 PC1 PO PH gd_23
10417 [ BA ]
10418 [ atoms ]
10419 C3 C -0.10000 0
10420 H3 HC 0.10000 0
10421 C2 C -0.10000 1
10422 H2 HC 0.10000 1
10423 C4 C -0.10000 2
10424 H4 HC 0.10000 2
10425 C1 C -0.10000 3
10426 H1 HC 0.10000 3
10427 C5 C -0.10000 4
10428 H5 HC 0.10000 4
10429 C6 C 0.00000 5
10430 C7 C 0.53000 6
10431 O8 O -0.38000 6
10432 O9 OA -0.54800 6
10433 H9 H 0.39800 6
10434 [ bonds ]
10435 C3 H3 gb_3
10436 C3 C2 gb_16
10437 C3 C4 gb_16
10438 C2 H2 gb_3
10439 C2 C1 gb_16
10440 C4 H4 gb_3
10441 C4 C5 gb_16
10442 C1 H1 gb_3
10443 C1 C6 gb_16
10444 C5 H5 gb_3
10445 C5 C6 gb_16
10446 C6 C7 gb_23
10447 C7 O8 gb_5
10448 C7 O9 gb_13
10449 O9 H9 gb_1
10450 [ exclusions ]
10451 ; ai aj
10452 C3 H1
10453 C3 H5
10454 C3 C6
10455 H3 H2
10456 H3 H4
10457 H3 C1
10458 H3 C5
10459 C2 H4
10460 C2 C5
10461 C2 C7
10462 H2 C4
10463 H2 H1
10464 H2 C6
10465 C4 C1
10466 C4 C7
10467 H4 H5
10468 H4 C6
10469 C1 H5
10470 H1 C5
10471 H1 C7
10472 H5 C7
10473 [ angles ]
10474 ; ai aj ak gromos type
10475 H3 C3 C2 ga_25
10476 H3 C3 C4 ga_25
10477 C2 C3 C4 ga_27
10478 C3 C2 H2 ga_25
10479 C3 C2 C1 ga_27
10480 H2 C2 C1 ga_25
10481 C3 C4 H4 ga_25
10482 C3 C4 C5 ga_27
10483 H4 C4 C5 ga_25
10484 C2 C1 H1 ga_25
10485 C2 C1 C6 ga_27
10486 H1 C1 C6 ga_25
10487 C4 C5 H5 ga_25
10488 C4 C5 C6 ga_27
10489 H5 C5 C6 ga_25
10490 C1 C6 C5 ga_27
10491 C1 C6 C7 ga_27
10492 C5 C6 C7 ga_27
10493 C6 C7 O8 ga_30
10494 C6 C7 O9 ga_19
10495 O8 C7 O9 ga_33
10496 C7 O9 H9 ga_12
10497 [ impropers ]
10498 ; ai aj ak al gromos type
10499 C3 C2 C4 H3 gi_1
10500 C3 C2 C1 C6 gi_1
10501 C3 C4 C5 C6 gi_1
10502 C2 C3 C4 C5 gi_1
10503 C2 C1 C6 C5 gi_1
10504 H2 C3 C1 C2 gi_1
10505 C4 C3 C2 C1 gi_1
10506 C4 C5 C6 C1 gi_1
10507 H4 C3 C5 C4 gi_1
10508 C1 C2 C6 H1 gi_1
10509 C5 C4 C6 H5 gi_1
10510 C6 C1 C5 C7 gi_1
10511 C7 O8 O9 C6 gi_1
10512 [ dihedrals ]
10513 ; ai aj ak al gromos type
10514 C1 C6 C7 O9 gd_10
10515 C6 C7 O9 H9 gd_12
10517 [ RTOL ]
10518 [ atoms ]
10519 C18 CH3 0.00000 0
10520 C17 CH3 0.00000 0
10521 C1 CH0 0.00000 0
10522 C2 CH2r 0.00000 1
10523 C3 CH2r 0.00000 1
10524 C4 CH2r 0.00000 1
10525 C5 C 0.00000 2
10526 C16 CH3 0.00000 2
10527 C6 C 0.00000 2
10528 C7 CR1 0.00000 3
10529 C8 CR1 0.00000 3
10530 C9 C 0.00000 4
10531 C19 CH3 0.00000 4
10532 C10 CR1 0.00000 4
10533 C11 CR1 0.00000 5
10534 C12 CR1 0.00000 5
10535 C13 C 0.00000 6
10536 C20 CH3 0.00000 6
10537 C14 CR1 0.00000 6
10538 C15 CH2 0.15000 7
10539 O21 OA -0.54800 7
10540 H21 H 0.39800 7
10541 [ bonds ]
10542 C18 C1 gb_27
10543 C17 C1 gb_27
10544 C1 C2 gb_27
10545 C1 C6 gb_27
10546 C2 C3 gb_27
10547 C3 C4 gb_27
10548 C4 C5 gb_27
10549 C5 C16 gb_27
10550 C5 C6 gb_10
10551 C6 C7 gb_23
10552 C7 C8 gb_13
10553 C8 C9 gb_23
10554 C9 C19 gb_27
10555 C9 C10 gb_13
10556 C10 C11 gb_23
10557 C11 C12 gb_13
10558 C12 C13 gb_23
10559 C13 C20 gb_27
10560 C13 C14 gb_13
10561 C14 C15 gb_23
10562 C15 O21 gb_18
10563 O21 H21 gb_1
10564 [ angles ]
10565 ; ai aj ak gromos type
10566 C18 C1 C17 ga_13
10567 C18 C1 C2 ga_13
10568 C18 C1 C6 ga_13
10569 C17 C1 C2 ga_13
10570 C17 C1 C6 ga_13
10571 C2 C1 C6 ga_13
10572 C1 C2 C3 ga_13
10573 C2 C3 C4 ga_13
10574 C3 C4 C5 ga_13
10575 C4 C5 C16 ga_27
10576 C4 C5 C6 ga_27
10577 C16 C5 C6 ga_27
10578 C1 C6 C5 ga_27
10579 C1 C6 C7 ga_27
10580 C5 C6 C7 ga_27
10581 C6 C7 C8 ga_27
10582 C7 C8 C9 ga_27
10583 C8 C9 C19 ga_27
10584 C8 C9 C10 ga_27
10585 C19 C9 C10 ga_27
10586 C9 C10 C11 ga_27
10587 C10 C11 C12 ga_27
10588 C11 C12 C13 ga_27
10589 C12 C13 C20 ga_27
10590 C12 C13 C14 ga_27
10591 C20 C13 C14 ga_27
10592 C13 C14 C15 ga_27
10593 C14 C15 O21 ga_13
10594 C15 O21 H21 ga_12
10595 [ impropers ]
10596 ; ai aj ak al gromos type
10597 C5 C4 C6 C16 gi_1
10598 C6 C1 C7 C5 gi_1
10599 C9 C8 C10 C19 gi_1
10600 C13 C12 C14 C20 gi_1
10601 [ dihedrals ]
10602 ; ai aj ak al gromos type
10603 C6 C1 C2 C3 gd_34
10604 C2 C1 C6 C5 gd_34
10605 C1 C2 C3 C4 gd_34
10606 C2 C3 C4 C5 gd_34
10607 C3 C4 C5 C6 gd_34
10608 C4 C5 C6 C1 gd_14
10609 C5 C6 C7 C8 gd_34
10610 C6 C7 C8 C9 gd_14
10611 C7 C8 C9 C10 gd_12
10612 C8 C9 C10 C11 gd_14
10613 C9 C10 C11 C12 gd_12
10614 C10 C11 C12 C13 gd_14
10615 C11 C12 C13 C14 gd_12
10616 C12 C13 C14 C15 gd_14
10617 C13 C14 C15 O21 gd_40
10618 C14 C15 O21 H21 gd_23
10620 [ TEMP ]
10621 [ atoms ]
10622 O1 O -0.20000 0
10623 N1 NR -0.03600 0
10624 C1 CH0 0.11800 0
10625 C4 CH0 0.11800 0
10626 CA C 0.00000 1
10627 C3 CR1 0.00000 1
10628 C6 CH3 0.00000 2
10629 C7 CH3 0.00000 3
10630 C8 CH3 0.00000 4
10631 C9 CH3 0.00000 5
10632 C5 C 0.38000 6
10633 O5 O -0.38000 6
10634 [ bonds ]
10635 O1 N1 gb_6
10636 N1 C1 gb_22
10637 N1 C4 gb_22
10638 C1 CA gb_25
10639 C1 C6 gb_26
10640 C1 C7 gb_26
10641 C4 C3 gb_25
10642 C4 C8 gb_26
10643 C4 C9 gb_26
10644 CA C3 gb_7
10645 CA C5 gb_23
10646 C5 O5 gb_5
10647 C5 +N gb_10
10648 [ exclusions ]
10649 ; ai aj
10650 O1 CA
10651 O1 C3
10652 O1 C6
10653 O1 C7
10654 O1 C8
10655 O1 C9
10656 N1 C5
10657 C1 C8
10658 C1 C9
10659 C4 C6
10660 C4 C7
10661 C4 C5
10662 CA C8
10663 CA C9
10664 C3 C6
10665 C3 C7
10666 C6 C5
10667 C7 C5
10668 [ angles ]
10669 ; ai aj ak gromos type
10670 O1 N1 C1 ga_31
10671 O1 N1 C4 ga_31
10672 C1 N1 C4 ga_19
10673 N1 C1 CA ga_3
10674 N1 C1 C6 ga_13
10675 N1 C1 C7 ga_13
10676 CA C1 C6 ga_16
10677 CA C1 C7 ga_16
10678 C6 C1 C7 ga_15
10679 N1 C4 C3 ga_3
10680 N1 C4 C8 ga_13
10681 N1 C4 C9 ga_13
10682 C3 C4 C8 ga_16
10683 C3 C4 C9 ga_16
10684 C8 C4 C9 ga_15
10685 C1 CA C3 ga_16
10686 C1 CA C5 ga_31
10687 C3 CA C5 ga_35
10688 C4 C3 CA ga_16
10689 CA C5 O5 ga_30
10690 CA C5 +N ga_19
10691 O5 C5 +N ga_33
10692 [ impropers ]
10693 ; ai aj ak al gromos type
10694 N1 C1 C4 O1 gi_1
10695 N1 C1 CA C3 gi_1
10696 N1 C4 C3 CA gi_1
10697 C1 N1 C4 C3 gi_1
10698 C1 CA C3 C4 gi_1
10699 C4 N1 C1 CA gi_1
10700 CA C1 C3 C5 gi_1
10701 C5 CA +N O5 gi_1
10702 [ dihedrals ]
10703 ; ai aj ak al gromos type
10704 C3 CA C5 +N gd_14
10706 [ ETH ]
10707 [ atoms ]
10708 EO OM -0.60000 0
10709 EC1 CH2 -0.40000 0
10710 EC2 CH3 0.00000 0
10711 [ bonds ]
10712 EO EC1 gb_19
10713 EC1 EC2 gb_27
10714 [ angles ]
10715 ; ai aj ak gromos type
10716 EO EC1 EC2 ga_13
10717 [ impropers ]
10718 ; ai aj ak al gromos type
10719 [ dihedrals ]
10720 ; ai aj ak al gromos type
10722 [ ETHH ]
10723 [ atoms ]
10724 EH H 0.40300 0
10725 EO OA -0.61100 0
10726 EC1 CH2 0.20800 0
10727 EC2 CH3 0.00000 1
10728 [ bonds ]
10729 EH EO gb_1
10730 EO EC1 gb_18
10731 EC1 EC2 gb_27
10732 [ angles ]
10733 ; ai aj ak gromos type
10734 EH EO EC1 ga_12
10735 EO EC1 EC2 ga_15
10736 [ impropers ]
10737 ; ai aj ak al gromos type
10738 [ dihedrals ]
10739 ; ai aj ak al gromos type
10740 EH EO EC1 EC2 gd_23
10742 [ CH4 ]
10743 [ atoms ]
10744 CM CH4 0.00000 0
10745 [ bonds ]
10746 [ angles ]
10747 ; ai aj ak gromos type
10748 [ impropers ]
10749 ; ai aj ak al gromos type
10750 [ dihedrals ]
10751 ; ai aj ak al gromos type
10753 [ AR ]
10754 [ atoms ]
10755 AR AR 0.00000 0
10756 [ bonds ]
10757 [ angles ]
10758 ; ai aj ak gromos type
10759 [ impropers ]
10760 ; ai aj ak al gromos type
10761 [ dihedrals ]
10762 ; ai aj ak al gromos type
10764 [ SO42- ]
10765 [ atoms ]
10766 S S 0.54000 0
10767 O1 OM -0.63500 0
10768 O2 OM -0.63500 0
10769 O3 OM -0.63500 0
10770 O4 OM -0.63500 0
10771 [ bonds ]
10772 S O1 gb_25
10773 S O2 gb_25
10774 S O3 gb_25
10775 S O4 gb_25
10776 [ angles ]
10777 ; ai aj ak gromos type
10778 O1 S O2 ga_13
10779 O1 S O3 ga_13
10780 O1 S O4 ga_13
10781 O2 S O3 ga_13
10782 O2 S O4 ga_13
10783 O3 S O4 ga_13
10784 [ impropers ]
10785 ; ai aj ak al gromos type
10786 [ dihedrals ]
10787 ; ai aj ak al gromos type
10789 [ ZN2+ ]
10790 [ atoms ]
10791 ZN ZN2+ 2.00000 0
10792 [ bonds ]
10793 [ angles ]
10794 ; ai aj ak gromos type
10795 [ impropers ]
10796 ; ai aj ak al gromos type
10797 [ dihedrals ]
10798 ; ai aj ak al gromos type
10800 [ NA+ ]
10801 [ atoms ]
10802 NA NA+ 1.00000 0
10803 [ bonds ]
10804 [ angles ]
10805 ; ai aj ak gromos type
10806 [ impropers ]
10807 ; ai aj ak al gromos type
10808 [ dihedrals ]
10809 ; ai aj ak al gromos type
10811 [ CL- ]
10812 [ atoms ]
10813 CL CL- -1.00000 0
10814 [ bonds ]
10815 [ angles ]
10816 ; ai aj ak gromos type
10817 [ impropers ]
10818 ; ai aj ak al gromos type
10819 [ dihedrals ]
10820 ; ai aj ak al gromos type
10822 [ CA2+ ]
10823 [ atoms ]
10824 CA CA2+ 2.00000 0
10825 [ bonds ]
10826 [ angles ]
10827 ; ai aj ak gromos type
10828 [ impropers ]
10829 ; ai aj ak al gromos type
10830 [ dihedrals ]
10831 ; ai aj ak al gromos type
10833 [ MG2+ ]
10834 [ atoms ]
10835 MG MG2+ 2.00000 0
10836 [ bonds ]
10837 [ angles ]
10838 ; ai aj ak gromos type
10839 [ impropers ]
10840 ; ai aj ak al gromos type
10841 [ dihedrals ]
10842 ; ai aj ak al gromos type
10844 [ CU1+ ]
10845 [ atoms ]
10846 CU CU1+ 1.00000 0
10847 [ bonds ]
10848 [ angles ]
10849 ; ai aj ak gromos type
10850 [ impropers ]
10851 ; ai aj ak al gromos type
10852 [ dihedrals ]
10853 ; ai aj ak al gromos type
10855 [ CU2+ ]
10856 [ atoms ]
10857 CU CU2+ 2.00000 0
10858 [ bonds ]
10859 [ angles ]
10860 ; ai aj ak gromos type
10861 [ impropers ]
10862 ; ai aj ak al gromos type
10863 [ dihedrals ]
10864 ; ai aj ak al gromos type
10866 [ H2O ]
10867 [ atoms ]
10868 OW OW -0.82000 0
10869 HW1 H 0.41000 0
10870 HW2 H 0.41000 0
10871 [ bonds ]
10872 OW HW1 gb_38
10873 OW HW2 gb_38
10874 HW1 HW2 gb_46
10875 [ angles ]
10876 ; ai aj ak gromos type
10877 [ impropers ]
10878 ; ai aj ak al gromos type
10879 [ dihedrals ]
10880 ; ai aj ak al gromos type
10882 [ HOH ]
10883 [ atoms ]
10884 OW OW -0.82000 0
10885 HW1 H 0.41000 0
10886 HW2 H 0.41000 0
10887 [ bonds ]
10888 OW HW1 gb_38
10889 OW HW2 gb_38
10890 HW1 HW2 gb_46
10891 [ angles ]
10892 ; ai aj ak gromos type
10893 [ impropers ]
10894 ; ai aj ak al gromos type
10895 [ dihedrals ]
10896 ; ai aj ak al gromos type
10898 [ H2OE ]
10899 [ atoms ]
10900 OW OW -0.84760 0
10901 HW1 H 0.42380 0
10902 HW2 H 0.42380 0
10903 [ bonds ]
10904 OW HW1 gb_38
10905 OW HW2 gb_38
10906 HW1 HW2 gb_46
10907 [ angles ]
10908 ; ai aj ak gromos type
10909 [ impropers ]
10910 ; ai aj ak al gromos type
10911 [ dihedrals ]
10912 ; ai aj ak al gromos type
10914 [ CHCL3 ]
10915 [ atoms ]
10916 CChl CChl 0.17900 0
10917 HChl HChl 0.08200 0
10918 CLCh1 CLChl -0.08700 0
10919 CLCh2 CLChl -0.08700 0
10920 CLCh3 CLChl -0.08700 0
10921 [ bonds ]
10922 CChl CLCh1 gb_40
10923 CChl CLCh2 gb_40
10924 CChl CLCh3 gb_40
10925 HChl CLCh1 gb_47
10926 HChl CLCh2 gb_47
10927 HChl CLCh3 gb_47
10928 CLCh1 CLCh2 gb_48
10929 CLCh1 CLCh3 gb_48
10930 CLCh2 CLCh3 gb_48
10931 [ angles ]
10932 ; ai aj ak gromos type
10933 [ impropers ]
10934 ; ai aj ak al gromos type
10935 [ dihedrals ]
10936 ; ai aj ak al gromos type
10938 [ DMSO ]
10939 [ atoms ]
10940 SDmso SDmso 0.12753 0
10941 ODmso ODmso -0.44753 0
10942 CDms1 CDmso 0.16000 0
10943 CDms2 CDmso 0.16000 0
10944 [ bonds ]
10945 SDmso ODmso gb_41
10946 SDmso CDms1 gb_42
10947 SDmso CDms2 gb_42
10948 ODmso CDms1 gb_49
10949 ODmso CDms2 gb_49
10950 CDms1 CDms2 gb_50
10951 [ angles ]
10952 ; ai aj ak gromos type
10953 [ impropers ]
10954 ; ai aj ak al gromos type
10955 [ dihedrals ]
10956 ; ai aj ak al gromos type
10958 [ CH3OH ]
10959 [ atoms ]
10960 Omet OMet -0.67400 0
10961 HMet H 0.40800 0
10962 CMet CMet 0.26600 0
10963 [ bonds ]
10964 Omet HMet gb_1
10965 Omet CMet gb_27
10966 HMet CMet gb_51
10967 [ angles ]
10968 ; ai aj ak gromos type
10969 [ impropers ]
10970 ; ai aj ak al gromos type
10971 [ dihedrals ]
10972 ; ai aj ak al gromos type
10974 [ CCL4 ]
10975 [ atoms ]
10976 CCl4 CCl4 0.00000 0
10977 CLCl1 CLCl4 0.00000 0
10978 CLCl2 CLCl4 0.00000 0
10979 CLCl3 CLCl4 0.00000 0
10980 CLCl4 CLCl4 0.00000 0
10981 [ bonds ]
10982 CCl4 CLCl1 gb_43
10983 CCl4 CLCl2 gb_43
10984 CCl4 CLCl3 gb_43
10985 CCl4 CLCl4 gb_43
10986 CLCl1 CLCl2 gb_52
10987 CLCl1 CLCl3 gb_52
10988 CLCl1 CLCl4 gb_52
10989 CLCl2 CLCl3 gb_52
10990 CLCl2 CLCl4 gb_52
10991 [ angles ]
10992 ; ai aj ak gromos type
10993 [ impropers ]
10994 ; ai aj ak al gromos type
10995 [ dihedrals ]
10996 ; ai aj ak al gromos type
10998 [ TFE ]
10999 [ atoms ]
11000 HT H 0.41000 0
11001 OT OTFE -0.62500 0
11002 CH2T CHTFE 0.27300 0
11003 CT CTFE 0.45200 0
11004 F1T FTFE -0.17000 0
11005 F2T FTFE -0.17000 0
11006 F3T FTFE -0.17000 0
11007 [ bonds ]
11008 HT OT gb_1
11009 OT CH2T gb_18
11010 CH2T CT gb_27
11011 CT F1T gb_13
11012 CT F2T gb_13
11013 CT F3T gb_13
11014 [ angles ]
11015 ; ai aj ak gromos type
11016 HT OT CH2T ga_50
11017 OT CH2T CT ga_51
11018 CH2T CT F1T ga_52
11019 CH2T CT F2T ga_52
11020 CH2T CT F3T ga_52
11021 F1T CT F2T ga_49
11022 F1T CT F3T ga_49
11023 F2T CT F3T ga_49
11024 [ impropers ]
11025 ; ai aj ak al gromos type
11026 [ dihedrals ]
11027 ; ai aj ak al gromos type
11028 HT OT CH2T CT gd_24
11030 [ UREA ]
11031 [ atoms ]
11032 OU OUrea -0.39000 0
11033 CU CUrea 0.14200 0
11034 N1U NUrea -0.54200 0
11035 H11U H 0.33300 0
11036 H12U H 0.33300 0
11037 N2U NUrea -0.54200 0
11038 H21U H 0.33300 0
11039 H22U H 0.33300 0
11040 [ bonds ]
11041 OU CU gb_44
11042 CU N1U gb_45
11043 CU N2U gb_45
11044 N1U H11U gb_2
11045 N1U H12U gb_2
11046 N2U H21U gb_2
11047 N2U H22U gb_2
11048 [ exclusions ]
11049 ; ai aj
11050 OU H11U
11051 OU H12U
11052 OU H21U
11053 OU H22U
11054 N1U H21U
11055 N1U H22U
11056 H11U N2U
11057 H11U H21U
11058 H11U H22U
11059 H12U N2U
11060 H12U H21U
11061 H12U H22U
11062 [ angles ]
11063 ; ai aj ak gromos type
11064 OU CU N1U ga_54
11065 OU CU N2U ga_54
11066 N1U CU N2U ga_53
11067 CU N1U H11U ga_23
11068 CU N1U H12U ga_23
11069 H11U N1U H12U ga_24
11070 CU N2U H21U ga_23
11071 CU N2U H22U ga_23
11072 H21U N2U H22U ga_24
11073 [ impropers ]
11074 ; ai aj ak al gromos type
11075 CU N1U N2U OU gi_1
11076 N1U H11U H12U CU gi_1
11077 N2U H21U H22U CU gi_1
11078 [ dihedrals ]
11079 ; ai aj ak al gromos type
11080 OU CU N1U H11U gd_15
11081 OU CU N2U H21U gd_15