@MOLECULE 7-fluoro-2-methyl-4-(4-methyl-1-piperazinyl)-5h-thieno[2,3-b][1,5]benzodiazepine 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3349 -3.6909 0.1211 S.2 1 UNL11111111 0.0967 2 F 4.9387 2.9865 -0.0868 F 1 UNL11111111 -0.1705 3 N -1.7241 0.8542 0.0117 N.pl3 1 UNL11111111 -0.4810 4 N -4.0900 2.4002 -0.0744 N.3 1 UNL11111111 -0.4011 5 N 0.6384 1.1147 0.0647 N.pl3 1 UNL11111111 -0.5530 6 N 2.0569 -1.6872 0.0657 N.2 1 UNL11111111 -0.4227 7 C -1.9421 1.9094 1.0216 C.3 1 UNL11111111 -0.0957 8 C -2.2661 1.2495 -1.3055 C.3 1 UNL11111111 -0.0888 9 C -3.4743 2.0001 1.2161 C.3 1 UNL11111111 -0.1171 10 C -3.7997 1.3982 -1.1325 C.3 1 UNL11111111 -0.1170 11 C -0.4396 0.2297 -0.0004 C.2 1 UNL11111111 0.4546 12 C -0.3985 -1.1313 -0.0150 C.ar 1 UNL11111111 -0.2941 13 C -5.5516 2.5556 0.0913 C.3 1 UNL11111111 -0.2844 14 C 0.8083 -1.9458 0.0453 C.ar 1 UNL11111111 0.2101 15 C 2.0258 0.8559 0.0349 C.ar 1 UNL11111111 0.2223 16 C -1.6006 -1.9550 -0.0469 C.ar 1 UNL11111111 -0.1392 17 C 2.6497 -0.4152 0.0157 C.ar 1 UNL11111111 0.0482 18 C -1.3980 -3.2832 0.0113 C.ar 1 UNL11111111 -0.0816 19 C 2.8242 2.0125 0.0275 C.ar 1 UNL11111111 -0.3353 20 C 4.0537 -0.4900 -0.0410 C.ar 1 UNL11111111 -0.0465 21 C -2.4132 -4.3483 -0.0143 C.3 1 UNL11111111 -0.4278 22 C 4.2080 1.8831 -0.0511 C.ar 1 UNL11111111 0.2514 23 C 4.8499 0.6505 -0.0913 C.ar 1 UNL11111111 -0.2698 24 H -1.5468 2.9014 0.7128 H 1 UNL11111111 0.1306 25 H -1.4502 1.6180 1.9789 H 1 UNL11111111 0.1515 26 H -2.0420 0.4613 -2.0547 H 1 UNL11111111 0.1506 27 H -1.8310 2.2029 -1.6751 H 1 UNL11111111 0.1352 28 H -3.8597 1.0306 1.6023 H 1 UNL11111111 0.1343 29 H -3.7027 2.7789 1.9727 H 1 UNL11111111 0.1391 30 H -4.2390 1.7671 -2.0845 H 1 UNL11111111 0.1407 31 H -4.2459 0.4039 -0.9182 H 1 UNL11111111 0.1287 32 H -5.9830 2.9237 -0.8531 H 1 UNL11111111 0.1470 33 H -5.7473 3.3243 0.8568 H 1 UNL11111111 0.1470 34 H -6.0788 1.6338 0.3820 H 1 UNL11111111 0.1224 35 H 0.3980 2.1091 0.0109 H 1 UNL11111111 0.3195 36 H -2.5735 -1.4799 -0.1011 H 1 UNL11111111 0.1737 37 H 2.3746 3.0011 0.0937 H 1 UNL11111111 0.1792 38 H 4.5143 -1.4851 -0.0510 H 1 UNL11111111 0.1835 39 H -2.3077 -5.0007 -0.8972 H 1 UNL11111111 0.1613 40 H -3.4360 -3.9383 -0.0471 H 1 UNL11111111 0.1575 41 H -2.3641 -4.9965 0.8760 H 1 UNL11111111 0.1616 42 H 5.9305 0.5738 -0.1672 H 1 UNL11111111 0.1790 @BOND 1 1 14 ar 2 1 18 ar 3 2 22 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 1 11 5 15 1 12 5 35 1 13 6 14 2 14 6 17 1 15 7 9 1 16 7 24 1 17 7 25 1 18 8 10 1 19 8 26 1 20 8 27 1 21 9 28 1 22 9 29 1 23 10 30 1 24 10 31 1 25 11 12 2 26 12 14 ar 27 12 16 ar 28 13 32 1 29 13 33 1 30 13 34 1 31 15 17 ar 32 15 19 ar 33 16 18 ar 34 16 36 1 35 17 20 ar 36 18 21 1 37 19 22 ar 38 19 37 1 39 20 23 ar 40 20 38 1 41 21 39 1 42 21 40 1 43 21 41 1 44 22 23 ar 45 23 42 1