@MOLECULE 3-methyl-7-(2-thienyl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5489 0.7958 1.3859 S.2 1 UNL1111111111 0.2586 2 N 1.5703 -0.5654 0.1349 N.pl3 1 UNL1111111111 -0.4644 3 N 3.7886 1.2129 0.2572 N.3 1 UNL1111111111 -0.4042 4 N -0.2106 0.9020 -1.6630 N.2 1 UNL1111111111 -0.3762 5 C 2.0839 0.0807 -1.0995 C.3 1 UNL1111111111 0.0581 6 C 2.6587 1.4587 -0.6731 C.3 1 UNL1111111111 -0.1339 7 C 2.6843 -0.8427 1.0649 C.3 1 UNL1111111111 -0.0977 8 C 3.2970 0.5212 1.4747 C.3 1 UNL1111111111 -0.1255 9 C 0.9955 0.2791 -2.1841 C.3 1 UNL1111111111 -0.1641 10 C 0.5781 -1.5588 0.0028 C.ar 1 UNL1111111111 0.2350 11 C -0.7063 -1.1632 -0.4300 C.ar 1 UNL1111111111 -0.1778 12 C 4.4469 2.4872 0.6165 C.3 1 UNL1111111111 -0.2807 13 C -0.9568 0.2340 -0.8504 C.2 1 UNL1111111111 0.2358 14 C 0.7844 -2.8940 0.3914 C.ar 1 UNL1111111111 -0.2742 15 C -1.7413 -2.0945 -0.4824 C.ar 1 UNL1111111111 -0.0734 16 C -2.1443 0.8856 -0.3122 C.ar 1 UNL1111111111 -0.1801 17 C -0.2626 -3.8062 0.3427 C.ar 1 UNL1111111111 -0.0731 18 C -1.5258 -3.4141 -0.0977 C.ar 1 UNL1111111111 -0.2125 19 C -3.0550 1.6527 -0.9843 C.ar 1 UNL1111111111 -0.1251 20 C -4.0962 2.1596 -0.1375 C.ar 1 UNL1111111111 -0.1830 21 C -3.9592 1.7842 1.1675 C.ar 1 UNL1111111111 -0.2699 22 H 2.9136 -0.5368 -1.5401 H 1 UNL1111111111 0.1379 23 H 3.0427 1.9956 -1.5646 H 1 UNL1111111111 0.1422 24 H 1.8478 2.0795 -0.2325 H 1 UNL1111111111 0.1491 25 H 3.4666 -1.4900 0.6123 H 1 UNL1111111111 0.1339 26 H 2.2924 -1.3526 1.9712 H 1 UNL1111111111 0.1449 27 H 2.5402 1.1136 2.0317 H 1 UNL1111111111 0.1338 28 H 4.1591 0.3460 2.1523 H 1 UNL1111111111 0.1377 29 H 1.3883 0.9571 -2.9798 H 1 UNL1111111111 0.1663 30 H 0.7774 -0.6947 -2.6800 H 1 UNL1111111111 0.1474 31 H 4.8445 2.9547 -0.2998 H 1 UNL1111111111 0.1464 32 H 5.3080 2.2750 1.2710 H 1 UNL1111111111 0.1437 33 H 3.7920 3.2125 1.1223 H 1 UNL1111111111 0.1231 34 H 1.7666 -3.2245 0.7163 H 1 UNL1111111111 0.1592 35 H -2.7294 -1.7834 -0.8276 H 1 UNL1111111111 0.1594 36 H -0.0915 -4.8393 0.6453 H 1 UNL1111111111 0.1465 37 H -2.3389 -4.1337 -0.1388 H 1 UNL1111111111 0.1562 38 H -3.0049 1.8721 -2.0417 H 1 UNL1111111111 0.1720 39 H -4.8917 2.7772 -0.5240 H 1 UNL1111111111 0.1588 40 H -4.6048 2.0387 1.9875 H 1 UNL1111111111 0.1697 @BOND 1 1 16 ar 2 1 21 ar 3 2 5 1 4 2 7 1 5 2 10 1 6 3 6 1 7 3 8 1 8 3 12 1 9 4 9 1 10 4 13 2 11 5 6 1 12 5 9 1 13 5 22 1 14 6 23 1 15 6 24 1 16 7 8 1 17 7 25 1 18 7 26 1 19 8 27 1 20 8 28 1 21 9 29 1 22 9 30 1 23 10 11 ar 24 10 14 ar 25 11 13 1 26 11 15 ar 27 12 31 1 28 12 32 1 29 12 33 1 30 13 16 1 31 14 17 ar 32 14 34 1 33 15 18 ar 34 15 35 1 35 16 19 ar 36 17 18 ar 37 17 36 1 38 18 37 1 39 19 20 ar 40 19 38 1 41 20 21 ar 42 20 39 1 43 21 40 1