@MOLECULE thiethylperazine 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.1654 0.6027 1.9984 S.3 1 UNL1111111111 0.1181 2 S 2.0682 -3.6896 0.1475 S.3 1 UNL1111111111 0.0003 3 N 1.6208 1.7894 -0.9300 N.3 1 UNL1111111111 -0.4368 4 N 3.7667 2.5928 0.8108 N.3 1 UNL1111111111 -0.3954 5 N -1.8693 -0.4763 -0.8880 N.pl3 1 UNL1111111111 -0.4531 6 C 2.1541 3.1718 -0.9644 C.3 1 UNL1111111111 -0.1146 7 C 1.7231 1.2611 0.4522 C.3 1 UNL1111111111 -0.1303 8 C 0.2231 1.7208 -1.4277 C.3 1 UNL1111111111 -0.1081 9 C 3.6504 3.1249 -0.5694 C.3 1 UNL1111111111 -0.1250 10 C 3.2107 1.2179 0.8677 C.3 1 UNL1111111111 -0.1249 11 C 0.0974 0.4068 -2.2239 C.3 1 UNL1111111111 -0.3167 12 C -1.3267 -0.1678 -2.2296 C.3 1 UNL1111111111 -0.0556 13 C 5.1797 2.5944 1.2477 C.3 1 UNL1111111111 -0.2848 14 C -1.0151 -1.0283 0.0805 C.ar 1 UNL1111111111 0.2462 15 C -3.1140 0.0886 -0.5457 C.ar 1 UNL1111111111 0.2281 16 C -1.0748 -0.6586 1.4354 C.ar 1 UNL1111111111 -0.2174 17 C -3.3937 0.5843 0.7378 C.ar 1 UNL1111111111 -0.2009 18 C -0.0847 -2.0077 -0.3179 C.ar 1 UNL1111111111 -0.2622 19 C -4.1328 0.1056 -1.5176 C.ar 1 UNL1111111111 -0.2428 20 C -0.2212 -1.2463 2.3642 C.ar 1 UNL1111111111 -0.0741 21 C 0.8094 -2.5282 0.6084 C.ar 1 UNL1111111111 -0.0122 22 C -4.6509 1.0994 1.0389 C.ar 1 UNL1111111111 -0.0825 23 C 0.7422 -2.1630 1.9531 C.ar 1 UNL1111111111 -0.2088 24 C -5.3797 0.6361 -1.2112 C.ar 1 UNL1111111111 -0.0906 25 C -5.6426 1.1383 0.0621 C.ar 1 UNL1111111111 -0.2026 26 C 2.5885 -3.1591 -1.5354 C.3 1 UNL1111111111 -0.2815 27 C 3.2725 -1.8049 -1.5395 C.3 1 UNL1111111111 -0.4451 28 H 1.6098 3.8604 -0.2830 H 1 UNL1111111111 0.1295 29 H 2.0603 3.5661 -1.9971 H 1 UNL1111111111 0.1304 30 H 1.3045 0.2320 0.4746 H 1 UNL1111111111 0.1447 31 H 1.1490 1.8698 1.1859 H 1 UNL1111111111 0.1392 32 H -0.5248 1.7620 -0.6080 H 1 UNL1111111111 0.1377 33 H -0.0011 2.5823 -2.0893 H 1 UNL1111111111 0.1322 34 H 4.0675 4.1531 -0.5854 H 1 UNL1111111111 0.1313 35 H 4.2114 2.5204 -1.3132 H 1 UNL1111111111 0.1244 36 H 3.7606 0.5029 0.2199 H 1 UNL1111111111 0.1214 37 H 3.2875 0.8512 1.9133 H 1 UNL1111111111 0.1390 38 H 0.4262 0.5751 -3.2678 H 1 UNL1111111111 0.1545 39 H 0.8237 -0.3318 -1.8261 H 1 UNL1111111111 0.1691 40 H -2.0011 0.5623 -2.7364 H 1 UNL1111111111 0.1504 41 H -1.3502 -1.1064 -2.8331 H 1 UNL1111111111 0.1416 42 H 5.2312 2.2373 2.2896 H 1 UNL1111111111 0.1457 43 H 5.8501 1.9766 0.6324 H 1 UNL1111111111 0.1183 44 H 5.5551 3.6307 1.2425 H 1 UNL1111111111 0.1430 45 H -0.0884 -2.3496 -1.3517 H 1 UNL1111111111 0.1729 46 H -3.9563 -0.3181 -2.5034 H 1 UNL1111111111 0.1644 47 H -0.2819 -0.9807 3.4236 H 1 UNL1111111111 0.1680 48 H -4.8739 1.4795 2.0388 H 1 UNL1111111111 0.1622 49 H 1.4318 -2.5788 2.6875 H 1 UNL1111111111 0.1710 50 H -6.1604 0.6506 -1.9715 H 1 UNL1111111111 0.1502 51 H -6.6206 1.5511 0.2953 H 1 UNL1111111111 0.1551 52 H 1.7248 -3.1692 -2.2238 H 1 UNL1111111111 0.1497 53 H 3.2794 -3.9503 -1.8883 H 1 UNL1111111111 0.1570 54 H 2.6129 -0.9925 -1.1928 H 1 UNL1111111111 0.1671 55 H 4.1659 -1.7835 -0.9021 H 1 UNL1111111111 0.1535 56 H 3.5946 -1.5261 -2.5520 H 1 UNL1111111111 0.1496 @BOND 1 1 16 1 2 1 17 1 3 2 21 1 4 2 26 1 5 3 6 1 6 3 7 1 7 3 8 1 8 4 9 1 9 4 10 1 10 4 13 1 11 5 12 1 12 5 14 1 13 5 15 1 14 6 9 1 15 6 28 1 16 6 29 1 17 7 10 1 18 7 30 1 19 7 31 1 20 8 11 1 21 8 32 1 22 8 33 1 23 9 34 1 24 9 35 1 25 10 36 1 26 10 37 1 27 11 12 1 28 11 38 1 29 11 39 1 30 12 40 1 31 12 41 1 32 13 42 1 33 13 43 1 34 13 44 1 35 14 16 ar 36 14 18 ar 37 15 17 ar 38 15 19 ar 39 16 20 ar 40 17 22 ar 41 18 21 ar 42 18 45 1 43 19 24 ar 44 19 46 1 45 20 23 ar 46 20 47 1 47 21 23 ar 48 22 25 ar 49 22 48 1 50 23 49 1 51 24 25 ar 52 24 50 1 53 25 51 1 54 26 27 1 55 26 52 1 56 26 53 1 57 27 54 1 58 27 55 1 59 27 56 1