@MOLECULE (3z)-7-chloro-5-(2-chlorophenyl)-1-methyl-3-(4-morpholinylmethylene)-1,3-dihydro-2h-1,4-benzodiazepin-2-one 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.8872 0.3027 -3.2061 Cl 1 UNL1111111111 -0.0862 2 CL -2.4603 -0.5740 2.2021 Cl 1 UNL1111111111 -0.0632 3 O 5.5873 -1.2530 -1.5237 O.3 1 UNL1111111111 -0.3763 4 O 1.4975 3.1626 1.6900 O.2 1 UNL1111111111 -0.5477 5 N 3.8464 0.3329 0.0155 N.pl3 1 UNL1111111111 -0.3375 6 N -0.5277 2.3252 1.1899 N.ar 1 UNL1111111111 -0.4666 7 N 0.9816 -0.1992 0.6711 N.ar 1 UNL1111111111 -0.3078 8 C 3.6814 -1.1204 -0.0231 C.3 1 UNL1111111111 -0.1206 9 C 5.2296 0.7672 -0.2343 C.3 1 UNL1111111111 -0.1299 10 C 4.2420 -1.6624 -1.3504 C.3 1 UNL1111111111 -0.0702 11 C 5.7172 0.1542 -1.5630 C.3 1 UNL1111111111 -0.0641 12 C 2.9256 1.2340 0.4072 C.2 1 UNL1111111111 0.1783 13 C 1.5744 1.0556 0.6545 C.ar 1 UNL1111111111 -0.2548 14 C -1.3217 1.8416 0.1331 C.ar 1 UNL1111111111 0.2452 15 C -1.1806 0.5147 -0.3165 C.ar 1 UNL1111111111 -0.1274 16 C -0.2282 -0.4239 0.3013 C.ar 1 UNL1111111111 0.1689 17 C 0.8820 2.2438 1.1776 C.ar 1 UNL1111111111 0.6147 18 C -0.7676 -1.7851 0.5297 C.ar 1 UNL1111111111 -0.0384 19 C -2.2956 2.6712 -0.4596 C.ar 1 UNL1111111111 -0.2306 20 C -1.9774 0.0452 -1.3625 C.ar 1 UNL1111111111 -0.1145 21 C -1.0827 3.4110 2.0175 C.3 1 UNL1111111111 -0.2228 22 C -3.0982 2.1969 -1.4880 C.ar 1 UNL1111111111 -0.1069 23 C -2.9157 0.8917 -1.9282 C.ar 1 UNL1111111111 -0.0282 24 C -1.8309 -1.9522 1.4154 C.ar 1 UNL1111111111 0.0267 25 C -0.2453 -2.9043 -0.1164 C.ar 1 UNL1111111111 -0.1093 26 C -2.3902 -3.1959 1.6706 C.ar 1 UNL1111111111 -0.1662 27 C -0.7981 -4.1619 0.1245 C.ar 1 UNL1111111111 -0.1608 28 C -1.8639 -4.3073 1.0115 C.ar 1 UNL1111111111 -0.1273 29 H 2.6120 -1.4213 0.0949 H 1 UNL1111111111 0.2028 30 H 4.2234 -1.5694 0.8413 H 1 UNL1111111111 0.1521 31 H 5.8782 0.4165 0.6035 H 1 UNL1111111111 0.1562 32 H 5.3076 1.8747 -0.2685 H 1 UNL1111111111 0.1530 33 H 4.3194 -2.7646 -1.3432 H 1 UNL1111111111 0.1463 34 H 3.6402 -1.3389 -2.2174 H 1 UNL1111111111 0.1335 35 H 5.1671 0.5572 -2.4313 H 1 UNL1111111111 0.1334 36 H 6.8025 0.3015 -1.7103 H 1 UNL1111111111 0.1463 37 H 3.3072 2.2773 0.5058 H 1 UNL1111111111 0.1836 38 H -2.4168 3.6995 -0.1219 H 1 UNL1111111111 0.1718 39 H -1.8613 -0.9821 -1.7164 H 1 UNL1111111111 0.1772 40 H -0.9577 4.4029 1.5524 H 1 UNL1111111111 0.1416 41 H -0.5465 3.4323 2.9878 H 1 UNL1111111111 0.1704 42 H -2.1482 3.2198 2.2262 H 1 UNL1111111111 0.1495 43 H -3.8512 2.8430 -1.9416 H 1 UNL1111111111 0.1703 44 H 0.5921 -2.7908 -0.8034 H 1 UNL1111111111 0.1604 45 H -3.2201 -3.3079 2.3673 H 1 UNL1111111111 0.1712 46 H -0.3940 -5.0354 -0.3844 H 1 UNL1111111111 0.1521 47 H -2.2886 -5.2932 1.1938 H 1 UNL1111111111 0.1519 @BOND 1 1 23 1 2 2 24 1 3 3 10 1 4 3 11 1 5 4 17 2 6 5 8 1 7 5 9 1 8 5 12 1 9 6 14 ar 10 6 17 ar 11 6 21 1 12 7 13 ar 13 7 16 ar 14 8 10 1 15 8 29 1 16 8 30 1 17 9 11 1 18 9 31 1 19 9 32 1 20 10 33 1 21 10 34 1 22 11 35 1 23 11 36 1 24 12 13 2 25 12 37 1 26 13 17 ar 27 14 15 ar 28 14 19 ar 29 15 16 ar 30 15 20 ar 31 16 18 1 32 18 24 ar 33 18 25 ar 34 19 22 ar 35 19 38 1 36 20 23 ar 37 20 39 1 38 21 40 1 39 21 41 1 40 21 42 1 41 22 23 ar 42 22 43 1 43 24 26 ar 44 25 27 ar 45 25 44 1 46 26 28 ar 47 26 45 1 48 27 28 ar 49 27 46 1 50 28 47 1