@MOLECULE bms-345541 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.9325 1.1707 0.0068 N.ar 1 UNL1 -0.1709 2 N 0.8249 -1.0528 -0.0523 N.ar 1 UNL1 -0.5157 3 N 2.6830 0.3790 0.0087 N.pl3 1 UNL1 -0.4834 4 N 0.7815 2.6614 -0.0655 N.ar 1 UNL1 -0.3502 5 N 5.9193 -1.4628 -0.0131 N.3 1 UNL1 -0.6445 6 C -1.4768 -0.1249 0.0087 C.ar 1 UNL1 0.0280 7 C 0.4684 1.3493 -0.0366 C.ar 1 UNL1 0.0415 8 C -1.4936 2.4429 0.0169 C.ar 1 UNL1 0.0353 9 C -0.5521 -1.2062 -0.0197 C.ar 1 UNL1 0.1583 10 C 1.3320 0.1756 -0.0444 C.ar 1 UNL1 0.4053 11 C -2.8557 -0.3848 0.0251 C.ar 1 UNL1 -0.1989 12 C -0.4088 3.3441 -0.0286 C.ar 1 UNL1 -0.0816 13 C -3.3185 -1.6913 0.0130 C.ar 1 UNL1 0.0395 14 C -1.0494 -2.5293 -0.0257 C.ar 1 UNL1 -0.1338 15 C 3.6005 -0.7515 -0.1780 C.3 1 UNL1 -0.0643 16 C -2.9250 2.7730 0.0714 C.3 1 UNL1 -0.4280 17 C -2.4076 -2.7639 -0.0097 C.ar 1 UNL1 -0.1614 18 C 5.0270 -0.3094 0.2252 C.3 1 UNL1 -0.1260 19 C -4.7836 -1.9663 0.0384 C.3 1 UNL1 -0.4478 20 H -3.5700 0.4333 0.0451 H 1 UNL1 0.1672 21 H -0.4370 4.4173 -0.0380 H 1 UNL1 0.1855 22 H 3.0301 1.3185 -0.1457 H 1 UNL1 0.3301 23 H -0.3282 -3.3490 -0.0456 H 1 UNL1 0.1801 24 H 3.5859 -1.1086 -1.2345 H 1 UNL1 0.1602 25 H 3.2587 -1.6139 0.4440 H 1 UNL1 0.1719 26 H -3.4147 2.3593 0.9693 H 1 UNL1 0.1680 27 H -3.0786 3.8652 0.1076 H 1 UNL1 0.1720 28 H -3.4715 2.4103 -0.8156 H 1 UNL1 0.1679 29 H -2.7851 -3.7853 -0.0152 H 1 UNL1 0.1567 30 H 5.0366 0.0489 1.2766 H 1 UNL1 0.1242 31 H 5.3616 0.5368 -0.4143 H 1 UNL1 0.1417 32 H -5.1379 -2.0986 1.0726 H 1 UNL1 0.1616 33 H -5.3728 -1.1513 -0.4035 H 1 UNL1 0.1550 34 H -5.0440 -2.8808 -0.5123 H 1 UNL1 0.1563 35 H 5.7826 -2.1939 0.6648 H 1 UNL1 0.2502 36 H 6.8884 -1.1966 -0.0195 H 1 UNL1 0.2502 @BOND 1 24 15 1 2 28 16 1 3 34 19 1 4 31 18 1 5 33 19 1 6 15 3 1 7 15 18 1 8 15 25 1 9 22 3 1 10 4 7 ar 11 4 12 ar 12 2 10 ar 13 2 9 ar 14 23 14 1 15 10 7 ar 16 10 3 1 17 21 12 1 18 7 1 ar 19 12 8 ar 20 14 9 ar 21 14 17 ar 22 9 6 ar 23 36 5 1 24 29 17 1 25 5 18 1 26 5 35 1 27 17 13 ar 28 1 6 ar 29 1 8 ar 30 6 11 ar 31 13 11 ar 32 13 19 1 33 8 16 1 34 11 20 1 35 19 32 1 36 16 27 1 37 16 26 1 38 18 30 1