@MOLECULE 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.5456 1.3900 -0.3145 C.3 1 UNL111111111 -0.4473 2 C 6.3016 -0.1130 -0.1268 C.3 1 UNL111111111 -0.0867 3 N 4.9189 -0.4399 -0.5524 N.3 1 UNL111111111 -0.4396 4 C 4.7674 -1.8750 -0.9002 C.3 1 UNL111111111 -0.0890 5 C 5.3680 -2.1284 -2.2896 C.3 1 UNL111111111 -0.4460 6 C 3.9207 -0.0210 0.4550 C.3 1 UNL111111111 -0.1461 7 C 2.7352 0.5888 -0.3380 C.3 1 UNL111111111 -0.0621 8 N 1.5669 0.8125 0.5376 N.am 1 UNL111111111 -0.4978 9 C 1.6511 1.8794 1.4379 C.2 1 UNL111111111 0.5733 10 O 2.6744 2.5204 1.4988 O.2 1 UNL111111111 -0.4865 11 C 0.4466 2.1930 2.3183 C.3 1 UNL111111111 -0.2052 12 N -0.6952 2.5720 1.5089 N.2 1 UNL111111111 -0.3616 13 C 0.5040 -0.1110 0.4893 C.ar 1 UNL111111111 0.2496 14 C 0.7966 -1.4802 0.3140 C.ar 1 UNL111111111 -0.2303 15 C -0.2192 -2.4216 0.2613 C.ar 1 UNL111111111 -0.0814 16 C -1.5406 -1.9999 0.3909 C.ar 1 UNL111111111 -0.0727 17 BR -2.9335 -3.2824 0.3365 Br 1 UNL111111111 -0.0456 18 C -1.8608 -0.6634 0.5497 C.ar 1 UNL111111111 -0.0865 19 C -0.8404 0.2935 0.5890 C.ar 1 UNL111111111 -0.1680 20 C -1.2337 1.7116 0.7160 C.2 1 UNL111111111 0.2228 21 C -2.3541 2.1602 -0.1331 C.ar 1 UNL111111111 -0.1235 22 C -3.3858 2.9413 0.3936 C.ar 1 UNL111111111 -0.0601 23 C -4.4389 3.3547 -0.4197 C.ar 1 UNL111111111 -0.1969 24 C -4.4697 3.0038 -1.7692 C.ar 1 UNL111111111 -0.0848 25 C -3.4448 2.2409 -2.3249 C.ar 1 UNL111111111 -0.2266 26 C -2.4022 1.8380 -1.4938 C.ar 1 UNL111111111 0.2157 27 F -1.4173 1.1260 -2.0160 F 1 UNL111111111 -0.1608 28 H 7.5923 1.6455 -0.1289 H 1 UNL111111111 0.1388 29 H 6.2913 1.6969 -1.3377 H 1 UNL111111111 0.1605 30 H 5.9248 1.9939 0.3588 H 1 UNL111111111 0.1555 31 H 7.0152 -0.6789 -0.7656 H 1 UNL111111111 0.1341 32 H 6.5080 -0.4121 0.9225 H 1 UNL111111111 0.1087 33 H 5.2292 -2.5498 -0.1496 H 1 UNL111111111 0.1088 34 H 3.6829 -2.1224 -0.9311 H 1 UNL111111111 0.1303 35 H 3.5823 -0.8423 1.1158 H 1 UNL111111111 0.1198 36 H 4.3371 0.7609 1.1310 H 1 UNL111111111 0.1652 37 H 5.0297 -1.3606 -2.9997 H 1 UNL111111111 0.1648 38 H 6.4616 -2.0927 -2.2775 H 1 UNL111111111 0.1412 39 H 5.0667 -3.1061 -2.6767 H 1 UNL111111111 0.1390 40 H 3.0507 1.5698 -0.7716 H 1 UNL111111111 0.1748 41 H 2.4542 -0.0521 -1.2005 H 1 UNL111111111 0.1570 42 H 0.2336 1.3491 3.0127 H 1 UNL111111111 0.1658 43 H 0.6985 3.0808 2.9589 H 1 UNL111111111 0.1985 44 H 1.8330 -1.8067 0.2267 H 1 UNL111111111 0.1753 45 H 0.0253 -3.4771 0.1243 H 1 UNL111111111 0.1708 46 H -2.9013 -0.3364 0.6374 H 1 UNL111111111 0.1764 47 H -3.3521 3.2322 1.4465 H 1 UNL111111111 0.1723 48 H -5.2396 3.9600 0.0010 H 1 UNL111111111 0.1576 49 H -5.2989 3.3313 -2.3964 H 1 UNL111111111 0.1522 50 H -3.4578 1.9712 -3.3793 H 1 UNL111111111 0.1764 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 3 1 6 2 31 1 7 2 32 1 8 3 4 1 9 3 6 1 10 4 5 1 11 4 33 1 12 4 34 1 13 5 37 1 14 5 38 1 15 5 39 1 16 6 7 1 17 6 35 1 18 6 36 1 19 7 8 1 20 7 40 1 21 7 41 1 22 8 9 am 23 8 13 1 24 9 10 2 25 9 11 1 26 11 12 1 27 11 42 1 28 11 43 1 29 12 20 2 30 13 14 ar 31 13 19 ar 32 14 15 ar 33 14 44 1 34 15 16 ar 35 15 45 1 36 16 17 1 37 16 18 ar 38 18 19 ar 39 18 46 1 40 19 20 1 41 20 21 1 42 21 22 ar 43 21 26 ar 44 22 23 ar 45 22 47 1 46 23 24 ar 47 23 48 1 48 24 25 ar 49 24 49 1 50 25 26 ar 51 25 50 1 52 26 27 1