@MOLECULE n-methylcytisine 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4487 1.8733 0.7075 O.2 1 UNL1 -0.5459 2 N 1.9319 -0.2604 0.9208 N.3 1 UNL1 -0.4012 3 N -0.9141 0.4876 -0.1901 N.ar 1 UNL1 -0.3698 4 C 1.3654 1.4164 -0.8321 C.3 1 UNL1 -0.1320 5 C 0.8435 -0.9659 -1.1913 C.3 1 UNL1 -0.1489 6 C 1.3170 0.3119 -1.8903 C.3 1 UNL1 -0.2888 7 C 2.3480 1.0151 0.2931 C.3 1 UNL1 -0.1270 8 C 1.8416 -1.3547 -0.0731 C.3 1 UNL1 -0.1179 9 C -0.0505 1.6814 -0.2917 C.3 1 UNL1 -0.0827 10 C -0.5214 -0.7600 -0.5767 C.ar 1 UNL1 0.2864 11 C -1.3682 -1.8437 -0.4204 C.ar 1 UNL1 -0.4109 12 C 2.8522 -0.6286 2.0166 C.3 1 UNL1 -0.2789 13 C -2.1982 0.7198 0.4122 C.ar 1 UNL1 0.5850 14 C -2.6351 -1.6680 0.1779 C.ar 1 UNL1 0.0285 15 C -3.0428 -0.4308 0.5813 C.ar 1 UNL1 -0.3848 16 H 1.7412 2.3639 -1.2907 H 1 UNL1 0.1453 17 H 0.7919 -1.8022 -1.9309 H 1 UNL1 0.1564 18 H 2.3081 0.1609 -2.3536 H 1 UNL1 0.1470 19 H 0.6325 0.5852 -2.7157 H 1 UNL1 0.1536 20 H 3.3800 0.9773 -0.1168 H 1 UNL1 0.1152 21 H 2.3419 1.7951 1.0876 H 1 UNL1 0.1462 22 H 1.4686 -2.2609 0.4567 H 1 UNL1 0.1504 23 H 2.8204 -1.6160 -0.5271 H 1 UNL1 0.1185 24 H 0.0076 2.1468 0.7255 H 1 UNL1 0.1742 25 H -0.5794 2.4211 -0.9430 H 1 UNL1 0.1589 26 H -1.0608 -2.8302 -0.7424 H 1 UNL1 0.1686 27 H 2.8391 0.1710 2.7772 H 1 UNL1 0.1520 28 H 3.8925 -0.8010 1.7053 H 1 UNL1 0.1174 29 H 2.4740 -1.5414 2.5082 H 1 UNL1 0.1509 30 H -3.2790 -2.5398 0.3095 H 1 UNL1 0.1487 31 H -4.0055 -0.2484 1.0489 H 1 UNL1 0.1855 @BOND 1 19 6 1 2 18 6 1 3 17 5 1 4 6 5 1 5 6 4 1 6 16 4 1 7 5 10 1 8 5 8 1 9 25 9 1 10 4 9 1 11 4 7 1 12 26 11 1 13 10 11 ar 14 10 3 ar 15 23 8 1 16 11 14 ar 17 9 3 1 18 9 24 1 19 3 13 ar 20 20 7 1 21 8 22 1 22 8 2 1 23 14 30 1 24 14 15 ar 25 7 2 1 26 7 21 1 27 13 15 ar 28 13 1 2 29 15 31 1 30 2 12 1 31 28 12 1 32 12 29 1 33 12 27 1