1 This_incredible_box_of_butane
3 1BUT C1 1 1.459 1.683 1.495 0.2896 0.6955 -0.1160
4 1BUT C2 2 1.268 1.546 1.546 0.2706 -0.0710 -0.1176
5 1BUT C3 3 1.304 1.427 1.684 -0.1283 -0.1121 0.2082
6 1BUT C4 4 1.113 1.302 1.788 -0.4224 -0.5246 0.0316
7 12.46298 12.46298 12.46298