@MOLECULE 2-methyl-4-(1-piperazinyl)-5h-thieno[2,3-b][1,5]benzodiazepine 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0240 3.3159 0.0041 S.2 1 UNL111111111 0.0953 2 N 1.9299 -0.7236 -0.0175 N.pl3 1 UNL111111111 -0.4607 3 N 4.3043 -2.2764 0.0246 N.3 1 UNL111111111 -0.5404 4 N -0.3426 -1.4466 -0.0027 N.pl3 1 UNL111111111 -0.5548 5 N -2.2996 1.0055 -0.0079 N.2 1 UNL111111111 -0.4363 6 C 2.3682 -1.3743 1.2411 C.3 1 UNL111111111 -0.0968 7 C 2.3406 -1.4855 -1.2214 C.3 1 UNL111111111 -0.0966 8 C 3.9121 -1.4819 1.2113 C.3 1 UNL111111111 -0.1103 9 C 3.8855 -1.5832 -1.2154 C.3 1 UNL111111111 -0.1105 10 C 0.5313 -0.3667 -0.0105 C.2 1 UNL111111111 0.4432 11 C 0.2210 0.9581 -0.0106 C.ar 1 UNL111111111 -0.2979 12 C -1.1273 1.5096 -0.0060 C.ar 1 UNL111111111 0.2170 13 C -1.7605 -1.4779 0.0022 C.ar 1 UNL111111111 0.1676 14 C 1.2313 2.0102 -0.0177 C.ar 1 UNL111111111 -0.1287 15 C -2.6263 -0.3601 -0.0038 C.ar 1 UNL111111111 0.0931 16 C 0.7586 3.2683 -0.0093 C.ar 1 UNL111111111 -0.0903 17 C -2.3099 -2.7697 0.0124 C.ar 1 UNL111111111 -0.2460 18 C -4.0133 -0.5792 0.0023 C.ar 1 UNL111111111 -0.0937 19 C 1.5269 4.5244 -0.0122 C.3 1 UNL111111111 -0.4275 20 C -3.6893 -2.9607 0.0160 C.ar 1 UNL111111111 -0.1027 21 C -4.5442 -1.8657 0.0109 C.ar 1 UNL111111111 -0.1872 22 H 2.0488 -0.7377 2.0955 H 1 UNL111111111 0.1513 23 H 1.9307 -2.3847 1.3835 H 1 UNL111111111 0.1296 24 H 1.9089 -2.5077 -1.2621 H 1 UNL111111111 0.1285 25 H 1.9981 -0.9312 -2.1228 H 1 UNL111111111 0.1512 26 H 4.2639 -2.0118 2.1218 H 1 UNL111111111 0.1383 27 H 4.3570 -0.4634 1.2185 H 1 UNL111111111 0.1292 28 H 4.3236 -0.5663 -1.3141 H 1 UNL111111111 0.1299 29 H 4.2231 -2.1835 -2.0862 H 1 UNL111111111 0.1380 30 H 5.3054 -2.4584 0.0212 H 1 UNL111111111 0.2554 31 H 0.0935 -2.3721 0.0074 H 1 UNL111111111 0.3174 32 H 2.2812 1.7386 -0.0295 H 1 UNL111111111 0.1766 33 H -1.6587 -3.6420 0.0179 H 1 UNL111111111 0.1559 34 H -4.6741 0.2930 -0.0008 H 1 UNL111111111 0.1787 35 H 1.3054 5.1456 -0.8957 H 1 UNL111111111 0.1606 36 H 2.6131 4.3403 -0.0214 H 1 UNL111111111 0.1567 37 H 1.3197 5.1412 0.8776 H 1 UNL111111111 0.1604 38 H -4.0925 -3.9723 0.0215 H 1 UNL111111111 0.1508 39 H -5.6223 -2.0076 0.0136 H 1 UNL111111111 0.1558 @BOND 1 1 12 ar 2 1 16 ar 3 2 6 1 4 2 7 1 5 2 10 1 6 3 8 1 7 3 9 1 8 3 30 1 9 4 10 1 10 4 13 1 11 4 31 1 12 5 12 2 13 5 15 1 14 6 8 1 15 6 22 1 16 6 23 1 17 7 9 1 18 7 24 1 19 7 25 1 20 8 26 1 21 8 27 1 22 9 28 1 23 9 29 1 24 10 11 2 25 11 12 ar 26 11 14 ar 27 13 15 ar 28 13 17 ar 29 14 16 ar 30 14 32 1 31 15 18 ar 32 16 19 1 33 17 20 ar 34 17 33 1 35 18 21 ar 36 18 34 1 37 19 35 1 38 19 36 1 39 19 37 1 40 20 21 ar 41 20 38 1 42 21 39 1