@MOLECULE (5s)-5-methyl-6-(3-methyl-2-buten-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1h)-thione 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.2272 -1.7478 0.0788 S.2 1 UNL111111111 -0.4879 2 N 1.2189 -0.7302 -0.0129 N.3 1 UNL111111111 -0.4600 3 N -1.8382 -0.4876 -0.4402 N.ar 1 UNL111111111 -0.3222 4 N -3.4484 0.8401 0.3730 N.ar 1 UNL111111111 -0.4365 5 C 0.2350 -1.8465 -0.0110 C.3 1 UNL111111111 0.0623 6 C -1.0487 -1.6325 -0.8638 C.3 1 UNL111111111 -0.0993 7 C 1.0529 0.3106 -1.0499 C.3 1 UNL111111111 -0.1063 8 C -1.2887 0.7993 -0.3151 C.ar 1 UNL111111111 0.0573 9 C -0.0056 1.2698 -0.5806 C.ar 1 UNL111111111 0.0093 10 C 2.6115 -1.2511 0.0048 C.3 1 UNL111111111 -0.0947 11 C -2.3160 1.6510 0.1848 C.ar 1 UNL111111111 0.0836 12 C -0.1572 -2.0726 1.4586 C.3 1 UNL111111111 -0.4517 13 C -3.1538 -0.4791 0.0066 C.ar 1 UNL111111111 0.4076 14 C 0.2235 2.6236 -0.3602 C.ar 1 UNL111111111 -0.1735 15 C -2.0732 3.0043 0.3990 C.ar 1 UNL111111111 -0.1852 16 C -0.7931 3.4691 0.1137 C.ar 1 UNL111111111 -0.1192 17 C 3.5350 -0.1815 0.5050 C.2 1 UNL111111111 -0.2417 18 C 4.8384 -0.1167 0.2076 C.2 1 UNL111111111 0.0435 19 C 5.7062 0.9643 0.7630 C.3 1 UNL111111111 -0.4536 20 C 5.5244 -1.1017 -0.6808 C.3 1 UNL111111111 -0.4589 21 H 0.7062 -2.7865 -0.4128 H 1 UNL111111111 0.1231 22 H -0.7866 -1.5038 -1.9407 H 1 UNL111111111 0.1505 23 H -1.6722 -2.5626 -0.8015 H 1 UNL111111111 0.1896 24 H 0.7948 -0.0926 -2.0545 H 1 UNL111111111 0.1299 25 H 2.0228 0.8495 -1.1832 H 1 UNL111111111 0.1598 26 H 2.6563 -2.1121 0.7169 H 1 UNL111111111 0.1507 27 H 2.9276 -1.6389 -0.9889 H 1 UNL111111111 0.1172 28 H -0.9110 -2.8596 1.5614 H 1 UNL111111111 0.1546 29 H 0.7125 -2.3428 2.0672 H 1 UNL111111111 0.1526 30 H -0.5669 -1.1525 1.8988 H 1 UNL111111111 0.1671 31 H -4.3364 1.1528 0.7168 H 1 UNL111111111 0.3476 32 H 1.2130 3.0393 -0.5451 H 1 UNL111111111 0.1604 33 H -2.8461 3.6665 0.7752 H 1 UNL111111111 0.1673 34 H -0.5643 4.5238 0.2692 H 1 UNL111111111 0.1554 35 H 3.0562 0.5432 1.1657 H 1 UNL111111111 0.1735 36 H 6.1762 1.5491 -0.0402 H 1 UNL111111111 0.1540 37 H 5.1523 1.6707 1.3960 H 1 UNL111111111 0.1546 38 H 6.5143 0.5453 1.3799 H 1 UNL111111111 0.1559 39 H 5.4477 -2.1228 -0.2805 H 1 UNL111111111 0.1557 40 H 5.0844 -1.1089 -1.6884 H 1 UNL111111111 0.1540 41 H 6.5943 -0.8882 -0.8027 H 1 UNL111111111 0.1533 @BOND 1 1 13 2 2 2 5 1 3 2 7 1 4 2 10 1 5 3 6 1 6 3 8 ar 7 3 13 ar 8 4 11 ar 9 4 13 ar 10 4 31 1 11 5 6 1 12 5 12 1 13 5 21 1 14 6 22 1 15 6 23 1 16 7 9 1 17 7 24 1 18 7 25 1 19 8 9 ar 20 8 11 ar 21 9 14 ar 22 10 17 1 23 10 26 1 24 10 27 1 25 11 15 ar 26 12 28 1 27 12 29 1 28 12 30 1 29 14 16 ar 30 14 32 1 31 15 16 ar 32 15 33 1 33 16 34 1 34 17 18 2 35 17 35 1 36 18 19 1 37 18 20 1 38 19 36 1 39 19 37 1 40 19 38 1 41 20 39 1 42 20 40 1 43 20 41 1