@MOLECULE zuclopenthixol 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.7276 -4.2175 1.1224 Cl 1 UNL1111111111 -0.0840 2 S 4.2113 0.0871 -1.7183 S.3 1 UNL1111111111 0.1010 3 O -9.0912 -0.0452 0.3284 O.3 1 UNL1111111111 -0.5485 4 N -2.6916 0.9886 -0.3594 N.3 1 UNL1111111111 -0.4270 5 N -5.5509 0.6978 -0.3490 N.3 1 UNL1111111111 -0.4248 6 C -3.4533 0.9589 0.9125 C.3 1 UNL1111111111 -0.1200 7 C -3.5242 1.6110 -1.4173 C.3 1 UNL1111111111 -0.1206 8 C -4.7110 0.0816 0.7078 C.3 1 UNL1111111111 -0.1230 9 C -4.7916 0.7454 -1.6225 C.3 1 UNL1111111111 -0.1182 10 C -1.3969 1.6919 -0.2032 C.3 1 UNL1111111111 -0.1062 11 C -6.8286 -0.0318 -0.5101 C.3 1 UNL1111111111 -0.1737 12 C -0.3703 0.6777 0.3471 C.3 1 UNL1111111111 -0.2905 13 C -7.8418 0.5964 0.4707 C.3 1 UNL1111111111 0.0051 14 C 0.9610 1.3151 0.5234 C.2 1 UNL1111111111 -0.1009 15 C 2.1428 0.6841 0.4135 C.2 1 UNL1111111111 -0.0855 16 C 2.2883 -0.7334 0.0717 C.ar 1 UNL1111111111 0.0268 17 C 3.4008 1.4319 0.5418 C.ar 1 UNL1111111111 -0.0017 18 C 3.1817 -1.1200 -0.9360 C.ar 1 UNL1111111111 -0.1122 19 C 4.4117 1.2618 -0.4097 C.ar 1 UNL1111111111 -0.1043 20 C 1.5407 -1.7104 0.7352 C.ar 1 UNL1111111111 -0.1749 21 C 3.5944 2.3312 1.5935 C.ar 1 UNL1111111111 -0.1511 22 C 3.2883 -2.4519 -1.3317 C.ar 1 UNL1111111111 -0.1124 23 C 5.5863 2.0059 -0.3416 C.ar 1 UNL1111111111 -0.1344 24 C 1.6662 -3.0298 0.3255 C.ar 1 UNL1111111111 0.0311 25 C 4.7709 3.0721 1.6690 C.ar 1 UNL1111111111 -0.1412 26 C 2.5122 -3.4243 -0.7028 C.ar 1 UNL1111111111 -0.1744 27 C 5.7597 2.9180 0.6979 C.ar 1 UNL1111111111 -0.1466 28 H -3.7561 1.9706 1.2583 H 1 UNL1111111111 0.1259 29 H -2.8156 0.5097 1.7020 H 1 UNL1111111111 0.1359 30 H -2.9413 1.6314 -2.3626 H 1 UNL1111111111 0.1380 31 H -3.8203 2.6542 -1.1765 H 1 UNL1111111111 0.1265 32 H -4.4012 -0.9571 0.4597 H 1 UNL1111111111 0.1311 33 H -5.2936 0.0454 1.6512 H 1 UNL1111111111 0.1330 34 H -5.4319 1.2151 -2.3990 H 1 UNL1111111111 0.1376 35 H -4.4971 -0.2629 -1.9851 H 1 UNL1111111111 0.1299 36 H -1.4619 2.5815 0.4564 H 1 UNL1111111111 0.1157 37 H -1.0478 2.0529 -1.1958 H 1 UNL1111111111 0.1422 38 H -6.7421 -1.1233 -0.3377 H 1 UNL1111111111 0.1208 39 H -7.2182 0.0872 -1.5449 H 1 UNL1111111111 0.1518 40 H -0.7256 0.2602 1.3134 H 1 UNL1111111111 0.1607 41 H -0.3303 -0.1966 -0.3416 H 1 UNL1111111111 0.1772 42 H -8.0623 1.6487 0.2101 H 1 UNL1111111111 0.1535 43 H -7.5075 0.5416 1.5187 H 1 UNL1111111111 0.1149 44 H 0.9339 2.3854 0.7484 H 1 UNL1111111111 0.1543 45 H -9.0401 -0.9783 0.6078 H 1 UNL1111111111 0.3076 46 H 0.8790 -1.4328 1.5564 H 1 UNL1111111111 0.1815 47 H 2.8251 2.4476 2.3554 H 1 UNL1111111111 0.1597 48 H 3.9774 -2.7509 -2.1247 H 1 UNL1111111111 0.1699 49 H 6.3768 1.8823 -1.0835 H 1 UNL1111111111 0.1639 50 H 4.9190 3.7731 2.4887 H 1 UNL1111111111 0.1535 51 H 2.5819 -4.4674 -1.0094 H 1 UNL1111111111 0.1737 52 H 6.6746 3.5049 0.7561 H 1 UNL1111111111 0.1532 @BOND 1 1 24 1 2 2 18 1 3 2 19 1 4 3 13 1 5 3 45 1 6 4 6 1 7 4 7 1 8 4 10 1 9 5 8 1 10 5 9 1 11 5 11 1 12 6 8 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 32 1 19 8 33 1 20 9 34 1 21 9 35 1 22 10 12 1 23 10 36 1 24 10 37 1 25 11 13 1 26 11 38 1 27 11 39 1 28 12 14 1 29 12 40 1 30 12 41 1 31 13 42 1 32 13 43 1 33 14 15 2 34 14 44 1 35 15 16 1 36 15 17 1 37 16 18 ar 38 16 20 ar 39 17 19 ar 40 17 21 ar 41 18 22 ar 42 19 23 ar 43 20 24 ar 44 20 46 1 45 21 25 ar 46 21 47 1 47 22 26 ar 48 22 48 1 49 23 27 ar 50 23 49 1 51 24 26 ar 52 25 27 ar 53 25 50 1 54 26 51 1 55 27 52 1