@MOLECULE cis-n,n-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4903 1.8297 -0.8416 S.O2 1 UNL1111111111 2.3310 2 S -1.3890 -3.1401 1.5113 S.3 1 UNL1111111111 0.0852 3 O -3.7937 2.2821 -2.0221 O.2 1 UNL1111111111 -0.8865 4 O -5.9014 1.5242 -0.8372 O.2 1 UNL1111111111 -0.8906 5 N 4.2975 1.1008 0.3782 N.3 1 UNL1111111111 -0.4280 6 N 6.9923 2.0449 0.0323 N.3 1 UNL1111111111 -0.4015 7 N -4.2469 3.0654 0.3769 N.3 1 UNL1111111111 -0.6972 8 C 4.7296 1.7400 -0.8887 C.3 1 UNL1111111111 -0.1213 9 C 5.0509 1.6862 1.5118 C.3 1 UNL1111111111 -0.1215 10 C 6.2354 1.4558 -1.0997 C.3 1 UNL1111111111 -0.1271 11 C 6.5594 1.4108 1.3021 C.3 1 UNL1111111111 -0.1254 12 C 2.8328 1.2329 0.5744 C.3 1 UNL1111111111 -0.1064 13 C 2.1588 0.0750 -0.1932 C.3 1 UNL1111111111 -0.2923 14 C 8.4467 1.8661 -0.1669 C.3 1 UNL1111111111 -0.2835 15 C 0.6813 0.1073 -0.0435 C.2 1 UNL1111111111 -0.1074 16 C -0.1287 -0.9572 -0.1795 C.2 1 UNL1111111111 -0.0828 17 C -1.5730 -0.8190 0.0449 C.ar 1 UNL1111111111 -0.0338 18 C 0.3361 -2.3160 -0.4723 C.ar 1 UNL1111111111 -0.0026 19 C -2.2512 -1.7493 0.8403 C.ar 1 UNL1111111111 -0.0586 20 C -2.2789 0.2547 -0.5054 C.ar 1 UNL1111111111 -0.0828 21 C -0.1387 -3.3928 0.2840 C.ar 1 UNL1111111111 -0.1067 22 C -3.6282 0.4197 -0.2122 C.ar 1 UNL1111111111 -0.4006 23 C -3.6091 -1.5987 1.1114 C.ar 1 UNL1111111111 -0.1669 24 C 1.2486 -2.5610 -1.5021 C.ar 1 UNL1111111111 -0.1421 25 C -4.2967 -0.5065 0.5852 C.ar 1 UNL1111111111 -0.0772 26 C 0.3382 -4.6834 0.0706 C.ar 1 UNL1111111111 -0.1289 27 C 1.7237 -3.8507 -1.7256 C.ar 1 UNL1111111111 -0.1365 28 C 1.2823 -4.9068 -0.9298 C.ar 1 UNL1111111111 -0.1460 29 C -4.9401 2.8567 1.6531 C.3 1 UNL1111111111 -0.2489 30 C -2.8684 3.5401 0.5435 C.3 1 UNL1111111111 -0.2476 31 H 4.5552 2.8377 -0.8963 H 1 UNL1111111111 0.1266 32 H 4.1515 1.3003 -1.7277 H 1 UNL1111111111 0.1355 33 H 4.7184 1.1946 2.4506 H 1 UNL1111111111 0.1372 34 H 4.8845 2.7792 1.6204 H 1 UNL1111111111 0.1259 35 H 6.3970 0.3615 -1.2043 H 1 UNL1111111111 0.1281 36 H 6.5743 1.9394 -2.0395 H 1 UNL1111111111 0.1354 37 H 7.1354 1.8642 2.1357 H 1 UNL1111111111 0.1359 38 H 6.7421 0.3148 1.3206 H 1 UNL1111111111 0.1285 39 H 2.4348 2.2123 0.2381 H 1 UNL1111111111 0.1168 40 H 2.5913 1.1408 1.6556 H 1 UNL1111111111 0.1393 41 H 2.4366 0.1234 -1.2681 H 1 UNL1111111111 0.1622 42 H 2.5894 -0.8892 0.1648 H 1 UNL1111111111 0.1790 43 H 8.7470 2.3852 -1.0924 H 1 UNL1111111111 0.1467 44 H 8.7751 0.8183 -0.2309 H 1 UNL1111111111 0.1202 45 H 8.9837 2.3520 0.6648 H 1 UNL1111111111 0.1468 46 H 0.2630 1.0868 0.2011 H 1 UNL1111111111 0.1512 47 H -1.7558 0.9479 -1.1757 H 1 UNL1111111111 0.1807 48 H -4.1466 -2.3274 1.7200 H 1 UNL1111111111 0.1679 49 H 1.5843 -1.7404 -2.1353 H 1 UNL1111111111 0.1628 50 H -5.3683 -0.4022 0.7909 H 1 UNL1111111111 0.1739 51 H -0.0208 -5.5237 0.6669 H 1 UNL1111111111 0.1644 52 H 2.4418 -4.0333 -2.5237 H 1 UNL1111111111 0.1551 53 H 1.6649 -5.9120 -1.0978 H 1 UNL1111111111 0.1541 54 H -6.0042 2.6052 1.4686 H 1 UNL1111111111 0.1677 55 H -4.9420 3.8016 2.2267 H 1 UNL1111111111 0.1457 56 H -4.4931 2.0756 2.2897 H 1 UNL1111111111 0.1177 57 H -2.4390 3.8027 -0.4444 H 1 UNL1111111111 0.1668 58 H -2.1997 2.8236 1.0488 H 1 UNL1111111111 0.1174 59 H -2.8720 4.4736 1.1357 H 1 UNL1111111111 0.1454 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 22 1 5 2 19 1 6 2 21 1 7 5 8 1 8 5 9 1 9 5 12 1 10 6 10 1 11 6 11 1 12 6 14 1 13 7 29 1 14 7 30 1 15 8 10 1 16 8 31 1 17 8 32 1 18 9 11 1 19 9 33 1 20 9 34 1 21 10 35 1 22 10 36 1 23 11 37 1 24 11 38 1 25 12 13 1 26 12 39 1 27 12 40 1 28 13 15 1 29 13 41 1 30 13 42 1 31 14 43 1 32 14 44 1 33 14 45 1 34 15 16 2 35 15 46 1 36 16 17 1 37 16 18 1 38 17 19 ar 39 17 20 ar 40 18 21 ar 41 18 24 ar 42 19 23 ar 43 20 22 ar 44 20 47 1 45 21 26 ar 46 22 25 ar 47 23 25 ar 48 23 48 1 49 24 27 ar 50 24 49 1 51 25 50 1 52 26 28 ar 53 26 51 1 54 27 28 ar 55 27 52 1 56 28 53 1 57 29 54 1 58 29 55 1 59 29 56 1 60 30 57 1 61 30 58 1 62 30 59 1