@MOLECULE (3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.9475 1.6907 -0.7911 C.ar 1 UNL1111111111 0.2391 2 N -0.5169 -0.9553 -0.9097 N.3 1 UNL1111111111 -0.8057 3 O -0.8879 -1.1330 1.5951 O.2 1 UNL1111111111 -0.9315 4 S -0.1336 -1.8209 0.5636 S.O2 1 UNL1111111111 2.3942 5 C 1.4076 0.5363 -1.4569 C.ar 1 UNL1111111111 -0.1552 6 N -0.4120 2.0259 -0.5720 N.pl3 1 UNL1111111111 -0.4356 7 O -0.3331 -3.2198 0.2771 O.2 1 UNL1111111111 -0.8816 8 C 2.7676 0.3976 -1.7227 C.ar 1 UNL1111111111 -0.0849 9 N -4.3991 2.4578 1.6093 N.ar 1 UNL1111111111 -0.3730 10 O 5.5196 -0.7096 1.6299 O.3 1 UNL1111111111 -0.3137 11 C 3.6864 1.3580 -1.2954 C.ar 1 UNL1111111111 -0.1085 12 N -2.7785 3.6927 0.6721 N.ar 1 UNL1111111111 -0.2344 13 C 3.2398 2.4942 -0.6102 C.ar 1 UNL1111111111 -0.0650 14 N 6.1975 0.9456 -1.6915 N.1 1 UNL1111111111 -0.2679 15 C 1.8875 2.6569 -0.3662 C.ar 1 UNL1111111111 -0.2363 16 C 0.5177 -0.6150 -1.8752 C.3 1 UNL1111111111 -0.0289 17 C -1.7235 -0.1282 -0.9646 C.3 1 UNL1111111111 0.0878 18 C -1.4076 1.3296 -1.3982 C.3 1 UNL1111111111 -0.1472 19 C -0.7716 2.1301 0.8725 C.3 1 UNL1111111111 -0.0817 20 C -2.1957 2.4862 1.0588 C.ar 1 UNL1111111111 -0.0597 21 C -3.2248 1.7346 1.6455 C.ar 1 UNL1111111111 -0.0607 22 C -4.1244 3.6373 1.0182 C.ar 1 UNL1111111111 0.0513 23 C -2.1021 4.7881 0.0085 C.3 1 UNL1111111111 -0.2561 24 C -2.7395 -0.7456 -1.9664 C.3 1 UNL1111111111 -0.3225 25 C -5.5313 -3.1407 0.2373 C.ar 1 UNL1111111111 -0.1667 26 C -5.8100 -1.7988 -0.0164 C.ar 1 UNL1111111111 -0.1335 27 C -4.9094 -1.0230 -0.7426 C.ar 1 UNL1111111111 -0.1737 28 C -3.7235 -1.5889 -1.2150 C.ar 1 UNL1111111111 0.0031 29 C -3.4403 -2.9308 -0.9537 C.ar 1 UNL1111111111 -0.1523 30 C -4.3446 -3.7038 -0.2295 C.ar 1 UNL1111111111 -0.1402 31 C 4.2554 -1.0722 1.3273 C.ar 1 UNL1111111111 0.3068 32 C 3.2904 -0.3068 2.0095 C.ar 1 UNL1111111111 -0.2884 33 C 1.9505 -0.5581 1.7713 C.ar 1 UNL1111111111 0.0048 34 C 1.5663 -1.5532 0.8635 C.ar 1 UNL1111111111 -0.4816 35 C 2.5328 -2.3343 0.2331 C.ar 1 UNL1111111111 0.0042 36 C 3.8871 -2.0944 0.4477 C.ar 1 UNL1111111111 -0.3377 37 C 6.5829 -1.3663 0.9488 C.3 1 UNL1111111111 -0.2071 38 C 5.0697 1.1472 -1.5206 C.1 1 UNL1111111111 0.1355 39 H 3.1331 -0.4866 -2.2506 H 1 UNL1111111111 0.1606 40 H 3.9574 3.2439 -0.2726 H 1 UNL1111111111 0.1648 41 H 1.5375 3.5544 0.1431 H 1 UNL1111111111 0.1696 42 H 1.1317 -1.5281 -2.0800 H 1 UNL1111111111 0.1441 43 H 0.0444 -0.3768 -2.8622 H 1 UNL1111111111 0.1524 44 H -2.2109 -0.0909 0.0545 H 1 UNL1111111111 0.1828 45 H -2.3499 1.9267 -1.3593 H 1 UNL1111111111 0.1580 46 H -1.0727 1.3723 -2.4574 H 1 UNL1111111111 0.1483 47 H -0.5674 1.1678 1.4164 H 1 UNL1111111111 0.1836 48 H -0.1118 2.9044 1.3331 H 1 UNL1111111111 0.1514 49 H -3.1802 0.7472 2.0775 H 1 UNL1111111111 0.2042 50 H -4.8276 4.4285 0.8386 H 1 UNL1111111111 0.1839 51 H -1.2874 4.4115 -0.6455 H 1 UNL1111111111 0.1837 52 H -2.8018 5.3619 -0.6236 H 1 UNL1111111111 0.1570 53 H -1.6534 5.4777 0.7477 H 1 UNL1111111111 0.1565 54 H -3.2600 0.0467 -2.5352 H 1 UNL1111111111 0.1427 55 H -2.2036 -1.3497 -2.7261 H 1 UNL1111111111 0.1643 56 H -6.2332 -3.7449 0.8058 H 1 UNL1111111111 0.1441 57 H -6.7271 -1.3509 0.3610 H 1 UNL1111111111 0.1485 58 H -5.1269 0.0271 -0.9243 H 1 UNL1111111111 0.1511 59 H -2.4994 -3.3691 -1.2914 H 1 UNL1111111111 0.1701 60 H -4.1141 -4.7459 -0.0184 H 1 UNL1111111111 0.1461 61 H 3.6112 0.4638 2.7057 H 1 UNL1111111111 0.1768 62 H 1.1954 0.0282 2.3123 H 1 UNL1111111111 0.1742 63 H 2.2423 -3.1561 -0.4336 H 1 UNL1111111111 0.1671 64 H 4.6334 -2.6993 -0.0546 H 1 UNL1111111111 0.1679 65 H 6.5218 -1.1964 -0.1324 H 1 UNL1111111111 0.1497 66 H 7.4661 -0.8537 1.3588 H 1 UNL1111111111 0.1652 67 H 6.6043 -2.4317 1.1933 H 1 UNL1111111111 0.1360 @BOND 1 1 5 ar 2 1 15 ar 3 2 4 1 4 4 3 2 5 4 34 1 6 5 8 ar 7 6 1 1 8 6 19 1 9 7 4 2 10 8 11 ar 11 8 39 1 12 9 22 ar 13 9 21 ar 14 11 38 1 15 12 20 ar 16 12 23 1 17 13 11 ar 18 13 40 1 19 15 13 ar 20 15 41 1 21 16 2 1 22 16 5 1 23 16 42 1 24 16 43 1 25 17 2 1 26 17 44 1 27 18 6 1 28 18 17 1 29 18 45 1 30 18 46 1 31 19 47 1 32 19 48 1 33 20 19 1 34 21 20 ar 35 21 49 1 36 22 12 ar 37 22 50 1 38 23 51 1 39 23 52 1 40 23 53 1 41 24 17 1 42 24 54 1 43 24 55 1 44 25 26 ar 45 25 56 1 46 26 27 ar 47 26 57 1 48 27 58 1 49 28 24 1 50 28 27 ar 51 29 28 ar 52 29 59 1 53 30 25 ar 54 30 29 ar 55 30 60 1 56 31 10 1 57 32 31 ar 58 32 61 1 59 33 32 ar 60 33 62 1 61 34 33 ar 62 34 35 ar 63 35 36 ar 64 35 63 1 65 36 31 ar 66 36 64 1 67 37 10 1 68 37 65 1 69 37 66 1 70 37 67 1 71 38 14 3