@MOLECULE clotiapine 41 44 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.4691 -3.9987 -1.2601 Cl 1 UNL1111111111 -0.0707 2 S 2.2380 -0.0436 1.8194 S.3 1 UNL1111111111 0.0704 3 N -1.4125 1.2304 0.4556 N.pl3 1 UNL1111111111 -0.4212 4 N -4.1696 1.9009 0.2630 N.3 1 UNL1111111111 -0.3950 5 N 0.7024 1.6554 -0.3122 N.2 1 UNL1111111111 -0.5731 6 C -2.4116 0.4523 1.1910 C.3 1 UNL1111111111 -0.0719 7 C -1.8082 2.6313 0.2587 C.3 1 UNL1111111111 -0.0587 8 C -3.7491 0.4850 0.4088 C.3 1 UNL1111111111 -0.1375 9 C -3.1545 2.6631 -0.5066 C.3 1 UNL1111111111 -0.1443 10 C -0.1562 0.7775 0.1496 C.2 1 UNL1111111111 0.4349 11 C -5.4897 1.9827 -0.3966 C.3 1 UNL1111111111 -0.2850 12 C 0.0881 -0.6913 0.2484 C.ar 1 UNL1111111111 -0.0811 13 C 1.1392 -1.1900 1.0168 C.ar 1 UNL1111111111 -0.0797 14 C 2.0579 1.4420 -0.5159 C.ar 1 UNL1111111111 0.2655 15 C -0.7139 -1.5639 -0.4912 C.ar 1 UNL1111111111 -0.1593 16 C 2.8955 0.7536 0.3812 C.ar 1 UNL1111111111 -0.2271 17 C 1.3556 -2.5630 1.1207 C.ar 1 UNL1111111111 -0.1082 18 C -0.4748 -2.9258 -0.3782 C.ar 1 UNL1111111111 0.0266 19 C 0.5330 -3.4474 0.4250 C.ar 1 UNL1111111111 -0.1564 20 C 2.6294 2.0754 -1.6417 C.ar 1 UNL1111111111 -0.2099 21 C 4.2718 0.7057 0.1622 C.ar 1 UNL1111111111 -0.0726 22 C 3.9978 2.0215 -1.8441 C.ar 1 UNL1111111111 -0.0883 23 C 4.8240 1.3405 -0.9434 C.ar 1 UNL1111111111 -0.2172 24 H -2.5584 0.9147 2.1989 H 1 UNL1111111111 0.1592 25 H -2.0886 -0.5940 1.3632 H 1 UNL1111111111 0.1478 26 H -1.0294 3.1891 -0.3142 H 1 UNL1111111111 0.1812 27 H -1.9118 3.1314 1.2483 H 1 UNL1111111111 0.1481 28 H -3.6381 -0.0402 -0.5626 H 1 UNL1111111111 0.1244 29 H -4.5263 -0.0542 0.9914 H 1 UNL1111111111 0.1448 30 H -3.4979 3.7161 -0.5908 H 1 UNL1111111111 0.1420 31 H -3.0115 2.2776 -1.5381 H 1 UNL1111111111 0.1284 32 H -6.2344 1.4540 0.2214 H 1 UNL1111111111 0.1463 33 H -5.5211 1.5663 -1.4143 H 1 UNL1111111111 0.1216 34 H -5.8032 3.0392 -0.4411 H 1 UNL1111111111 0.1473 35 H -1.5013 -1.1738 -1.1393 H 1 UNL1111111111 0.1828 36 H 2.1717 -2.9555 1.7332 H 1 UNL1111111111 0.1765 37 H 0.6912 -4.5235 0.5021 H 1 UNL1111111111 0.1745 38 H 1.9758 2.6056 -2.3325 H 1 UNL1111111111 0.1737 39 H 4.9258 0.1697 0.8533 H 1 UNL1111111111 0.1585 40 H 4.4379 2.5115 -2.7125 H 1 UNL1111111111 0.1493 41 H 5.8966 1.3070 -1.1126 H 1 UNL1111111111 0.1532 @BOND 1 1 18 1 2 2 13 1 3 2 16 1 4 3 6 1 5 3 7 1 6 3 10 1 7 4 8 1 8 4 9 1 9 4 11 1 10 5 10 2 11 5 14 1 12 6 8 1 13 6 24 1 14 6 25 1 15 7 9 1 16 7 26 1 17 7 27 1 18 8 28 1 19 8 29 1 20 9 30 1 21 9 31 1 22 10 12 1 23 11 32 1 24 11 33 1 25 11 34 1 26 12 13 ar 27 12 15 ar 28 13 17 ar 29 14 16 ar 30 14 20 ar 31 15 18 ar 32 15 35 1 33 16 21 ar 34 17 19 ar 35 17 36 1 36 18 19 ar 37 19 37 1 38 20 22 ar 39 20 38 1 40 21 23 ar 41 21 39 1 42 22 23 ar 43 22 40 1 44 23 41 1