@MOLECULE 2-chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine 38 41 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4748 -3.5857 1.2460 Cl 1 UNL1111111111 -0.0712 2 S 1.8252 -0.3160 -1.8734 S.3 1 UNL1111111111 0.0726 3 N -1.4399 1.5551 0.0796 N.pl3 1 UNL1111111111 -0.4093 4 N -3.7267 3.1836 -0.4447 N.3 1 UNL1111111111 -0.5340 5 N 0.8604 1.5597 0.3932 N.2 1 UNL1111111111 -0.5088 6 C -1.3995 3.0092 0.3634 C.3 1 UNL1111111111 -0.0796 7 C -2.3335 1.2559 -1.0648 C.3 1 UNL1111111111 -0.0939 8 C -2.8330 3.4825 0.6979 C.3 1 UNL1111111111 -0.1256 9 C -3.7621 1.7263 -0.7021 C.3 1 UNL1111111111 -0.1159 10 C -0.2028 0.8838 0.0774 C.2 1 UNL1111111111 0.3921 11 C -0.2874 -0.5893 -0.1311 C.ar 1 UNL1111111111 -0.0789 12 C 0.5697 -1.2426 -1.0173 C.ar 1 UNL1111111111 -0.0877 13 C 2.1544 1.0502 0.5094 C.ar 1 UNL1111111111 0.2258 14 C -1.2309 -1.3216 0.5942 C.ar 1 UNL1111111111 -0.1430 15 C 2.7561 0.2459 -0.4735 C.ar 1 UNL1111111111 -0.2005 16 C 0.4652 -2.6165 -1.2275 C.ar 1 UNL1111111111 -0.1114 17 C -1.3119 -2.6886 0.3733 C.ar 1 UNL1111111111 0.0230 18 C -0.4925 -3.3528 -0.5319 C.ar 1 UNL1111111111 -0.1563 19 C 2.9148 1.4797 1.6131 C.ar 1 UNL1111111111 -0.1935 20 C 4.0982 -0.1099 -0.3642 C.ar 1 UNL1111111111 -0.0838 21 C 4.2496 1.1145 1.7132 C.ar 1 UNL1111111111 -0.0967 22 C 4.8453 0.3261 0.7256 C.ar 1 UNL1111111111 -0.1979 23 H -0.9896 3.5812 -0.4983 H 1 UNL1111111111 0.1490 24 H -0.7264 3.1975 1.2308 H 1 UNL1111111111 0.1641 25 H -2.3405 0.1675 -1.2800 H 1 UNL1111111111 0.1438 26 H -1.9889 1.7792 -1.9869 H 1 UNL1111111111 0.1513 27 H -3.1710 3.0098 1.6450 H 1 UNL1111111111 0.1235 28 H -2.8274 4.5825 0.8542 H 1 UNL1111111111 0.1387 29 H -4.4410 1.5400 -1.5616 H 1 UNL1111111111 0.1401 30 H -4.1422 1.1403 0.1620 H 1 UNL1111111111 0.1251 31 H -4.6632 3.5456 -0.2775 H 1 UNL1111111111 0.2525 32 H -1.8835 -0.8149 1.3113 H 1 UNL1111111111 0.1927 33 H 1.1311 -3.1282 -1.9273 H 1 UNL1111111111 0.1759 34 H -0.5831 -4.4273 -0.6924 H 1 UNL1111111111 0.1744 35 H 2.4424 2.1019 2.3720 H 1 UNL1111111111 0.1741 36 H 4.5732 -0.7336 -1.1246 H 1 UNL1111111111 0.1618 37 H 4.8390 1.4456 2.5683 H 1 UNL1111111111 0.1524 38 H 5.8934 0.0503 0.8112 H 1 UNL1111111111 0.1549 @BOND 1 1 17 1 2 2 12 1 3 2 15 1 4 3 6 1 5 3 7 1 6 3 10 1 7 4 8 1 8 4 9 1 9 4 31 1 10 5 10 2 11 5 13 1 12 6 8 1 13 6 23 1 14 6 24 1 15 7 9 1 16 7 25 1 17 7 26 1 18 8 27 1 19 8 28 1 20 9 29 1 21 9 30 1 22 10 11 1 23 11 12 ar 24 11 14 ar 25 12 16 ar 26 13 15 ar 27 13 19 ar 28 14 17 ar 29 14 32 1 30 15 20 ar 31 16 18 ar 32 16 33 1 33 17 18 ar 34 18 34 1 35 19 21 ar 36 19 35 1 37 20 22 ar 38 20 36 1 39 21 22 ar 40 21 37 1 41 22 38 1