@MOLECULE 8-fluoro-12-(4-methyl-1-piperazinyl)-6h-[1]benzothieno[2,3-b][1,5]benzodiazepine 45 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.6372 2.7477 -1.5179 S.2 1 UNL111111111 0.1380 2 F -5.8277 1.1314 -0.0063 F 1 UNL111111111 -0.1712 3 N 1.3891 -1.5489 0.8917 N.pl3 1 UNL111111111 -0.4044 4 N 1.6577 -3.9748 -0.6920 N.3 1 UNL111111111 -0.3985 5 N -0.8953 -1.1136 0.8228 N.2 1 UNL111111111 -0.5200 6 N -1.3140 0.7689 -1.4520 N.pl3 1 UNL111111111 -0.4684 7 C 2.4165 -1.6939 -0.1635 C.3 1 UNL111111111 -0.1014 8 C 1.0421 -2.8807 1.4362 C.3 1 UNL111111111 -0.0821 9 C 1.9454 -2.6466 -1.2881 C.3 1 UNL111111111 -0.1551 10 C 0.5877 -3.8641 0.3316 C.3 1 UNL111111111 -0.1579 11 C 0.3102 -0.6937 0.5665 C.2 1 UNL111111111 0.4364 12 C 0.6520 0.6304 0.0266 C.ar 1 UNL111111111 -0.2635 13 C 1.2607 -4.9328 -1.7466 C.3 1 UNL111111111 -0.2846 14 C 1.7989 1.4221 0.4178 C.ar 1 UNL111111111 0.0321 15 C -0.1123 1.2285 -0.9403 C.ar 1 UNL111111111 0.1473 16 C 1.9455 2.5943 -0.3537 C.ar 1 UNL111111111 -0.1469 17 C -2.0709 -0.3884 0.6142 C.ar 1 UNL111111111 0.1282 18 C -2.3297 0.4474 -0.4999 C.ar 1 UNL111111111 0.1431 19 C 2.7140 1.1604 1.4423 C.ar 1 UNL111111111 -0.1400 20 C 2.9984 3.4771 -0.1465 C.ar 1 UNL111111111 -0.1246 21 C -3.1093 -0.6487 1.5264 C.ar 1 UNL111111111 -0.0992 22 C -3.6130 0.9620 -0.7165 C.ar 1 UNL111111111 -0.2845 23 C 3.7627 2.0443 1.6560 C.ar 1 UNL111111111 -0.1318 24 C 3.9094 3.1917 0.8647 C.ar 1 UNL111111111 -0.1539 25 C -4.3842 -0.1318 1.3317 C.ar 1 UNL111111111 -0.2288 26 C -4.6108 0.6510 0.2022 C.ar 1 UNL111111111 0.2063 27 H 3.3318 -2.1044 0.3241 H 1 UNL111111111 0.1635 28 H 2.6895 -0.7065 -0.5891 H 1 UNL111111111 0.1512 29 H 0.2435 -2.7760 2.2037 H 1 UNL111111111 0.1624 30 H 1.9524 -3.2687 1.9461 H 1 UNL111111111 0.1490 31 H 1.0732 -2.2076 -1.8174 H 1 UNL111111111 0.1285 32 H 2.7589 -2.7676 -2.0344 H 1 UNL111111111 0.1442 33 H 0.4254 -4.8683 0.7743 H 1 UNL111111111 0.1399 34 H -0.3857 -3.5268 -0.0887 H 1 UNL111111111 0.1447 35 H 1.1055 -5.9239 -1.2889 H 1 UNL111111111 0.1455 36 H 2.0874 -5.0363 -2.4687 H 1 UNL111111111 0.1443 37 H 0.3481 -4.6552 -2.2958 H 1 UNL111111111 0.1238 38 H -1.6508 1.1880 -2.3182 H 1 UNL111111111 0.3143 39 H 2.5948 0.2691 2.0627 H 1 UNL111111111 0.1839 40 H 3.1117 4.3756 -0.7500 H 1 UNL111111111 0.1563 41 H -2.8953 -1.2815 2.3918 H 1 UNL111111111 0.1784 42 H -3.8270 1.5937 -1.5760 H 1 UNL111111111 0.1777 43 H 4.4826 1.8474 2.4497 H 1 UNL111111111 0.1524 44 H 4.7417 3.8672 1.0501 H 1 UNL111111111 0.1491 45 H -5.1819 -0.3416 2.0417 H 1 UNL111111111 0.1762 @BOND 1 1 15 ar 2 1 16 ar 3 2 26 1 4 3 7 1 5 3 8 1 6 3 11 1 7 4 9 1 8 4 10 1 9 4 13 1 10 5 11 2 11 5 17 1 12 6 15 1 13 6 18 1 14 6 38 1 15 7 9 1 16 7 27 1 17 7 28 1 18 8 10 1 19 8 29 1 20 8 30 1 21 9 31 1 22 9 32 1 23 10 33 1 24 10 34 1 25 11 12 1 26 12 14 ar 27 12 15 ar 28 13 35 1 29 13 36 1 30 13 37 1 31 14 16 ar 32 14 19 ar 33 16 20 ar 34 17 18 ar 35 17 21 ar 36 18 22 ar 37 19 23 ar 38 19 39 1 39 20 24 ar 40 20 40 1 41 21 25 ar 42 21 41 1 43 22 26 ar 44 22 42 1 45 23 24 ar 46 23 43 1 47 24 44 1 48 25 26 ar 49 25 45 1