@MOLECULE (11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one 65 69 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.3542 -2.8753 -0.6915 C.3 1 UNL1111111111 -0.4101 2 C -5.1135 -2.2428 0.4815 C.3 1 UNL1111111111 0.1463 3 C -4.0805 -1.7970 1.5452 C.3 1 UNL1111111111 -0.3509 4 C -3.1123 -0.7971 0.9555 C.2 1 UNL1111111111 0.3028 5 C -2.7043 -0.9308 -0.3325 C.2 1 UNL1111111111 -0.3770 6 C -3.1677 -2.0598 -1.1525 C.2 1 UNL1111111111 0.5149 7 C -1.8876 1.2762 1.6896 C.ar 1 UNL1111111111 0.1619 8 N -2.2346 1.4279 -0.7576 N.am 1 UNL1111111111 -0.5139 9 C -1.8271 0.0314 -1.0752 C.3 1 UNL1111111111 0.1397 10 C -1.2430 1.7771 2.8377 C.ar 1 UNL1111111111 -0.2402 11 C -0.8814 3.0716 0.3933 C.ar 1 UNL1111111111 -0.1236 12 C -0.3528 -0.1413 -0.7811 C.ar 1 UNL1111111111 -0.0749 13 C -3.4643 1.8861 -1.2491 C.2 1 UNL1111111111 0.6157 14 C -3.9959 3.1707 -0.6827 C.3 1 UNL1111111111 -0.5270 15 C 1.8864 0.7070 -0.9608 C.ar 1 UNL1111111111 -0.0805 16 C 1.4813 -1.3358 0.2668 C.ar 1 UNL1111111111 -0.2739 17 C 0.1248 -1.2166 -0.0349 C.ar 1 UNL1111111111 -0.0816 18 O 3.6917 -0.2960 0.0953 O.3 1 UNL1111111111 -0.3087 19 C 5.7911 -1.2505 0.3586 C.ar 1 UNL1111111111 -0.0242 20 C 8.5290 -0.7918 0.1258 C.ar 1 UNL1111111111 -0.1531 21 C 7.6295 -0.0428 -0.6306 C.ar 1 UNL1111111111 -0.1433 22 C 6.2594 -0.2728 -0.5191 C.ar 1 UNL1111111111 -0.1306 23 C -5.9367 -1.0434 -0.0004 C.3 1 UNL1111111111 -0.4789 24 C -6.0493 -3.2844 1.1128 C.3 1 UNL1111111111 -0.4717 25 CL 2.9681 1.9019 -1.5134 Cl 1 UNL1111111111 -0.0630 26 C 0.5452 0.8114 -1.2782 C.ar 1 UNL1111111111 -0.1080 27 C 2.3653 -0.3572 -0.1840 C.ar 1 UNL1111111111 0.2195 28 C 4.3216 -1.5222 0.4848 C.3 1 UNL1111111111 -0.0598 29 C 8.0580 -1.7710 0.9997 C.ar 1 UNL1111111111 -0.1439 30 C 6.6895 -1.9998 1.1208 C.ar 1 UNL1111111111 -0.1716 31 O -2.6051 -2.3686 -2.1786 O.2 1 UNL1111111111 -0.4722 32 O -4.0172 1.2748 -2.1363 O.2 1 UNL1111111111 -0.5086 33 C -1.6961 1.9329 0.4579 C.ar 1 UNL1111111111 0.0957 34 C -0.2578 3.5562 1.5346 C.ar 1 UNL1111111111 -0.1758 35 C -0.4355 2.9019 2.7547 C.ar 1 UNL1111111111 -0.0983 36 N -2.7438 0.1738 1.8746 N.pl3 1 UNL1111111111 -0.4912 37 H -3.9983 -3.8933 -0.4320 H 1 UNL1111111111 0.1708 38 H -5.0358 -3.0258 -1.5562 H 1 UNL1111111111 0.1829 39 H -4.6204 -1.3902 2.4222 H 1 UNL1111111111 0.1551 40 H -3.5199 -2.6803 1.9163 H 1 UNL1111111111 0.1677 41 H -1.9833 -0.1027 -2.1965 H 1 UNL1111111111 0.2086 42 H -1.3654 1.2728 3.7934 H 1 UNL1111111111 0.1565 43 H -0.7304 3.5630 -0.5698 H 1 UNL1111111111 0.1716 44 H -3.2874 4.0002 -0.8122 H 1 UNL1111111111 0.1787 45 H -4.9318 3.4516 -1.1909 H 1 UNL1111111111 0.1836 46 H -4.2116 3.0829 0.3906 H 1 UNL1111111111 0.1727 47 H 1.8284 -2.1771 0.8571 H 1 UNL1111111111 0.1647 48 H -0.5667 -1.9826 0.3203 H 1 UNL1111111111 0.1626 49 H 9.5982 -0.6132 0.0352 H 1 UNL1111111111 0.1478 50 H 7.9953 0.7236 -1.3118 H 1 UNL1111111111 0.1518 51 H 5.5566 0.3146 -1.1142 H 1 UNL1111111111 0.1754 52 H -6.7458 -1.3546 -0.6703 H 1 UNL1111111111 0.1540 53 H -6.3881 -0.4949 0.8301 H 1 UNL1111111111 0.1427 54 H -5.3190 -0.3309 -0.5703 H 1 UNL1111111111 0.1768 55 H -5.4994 -4.1403 1.5163 H 1 UNL1111111111 0.1437 56 H -6.6364 -2.8518 1.9296 H 1 UNL1111111111 0.1462 57 H -6.7622 -3.6719 0.3753 H 1 UNL1111111111 0.1539 58 H 0.1770 1.6321 -1.8996 H 1 UNL1111111111 0.1818 59 H 4.0196 -1.7489 1.5245 H 1 UNL1111111111 0.1399 60 H 4.0074 -2.3432 -0.1902 H 1 UNL1111111111 0.1476 61 H 8.7605 -2.3560 1.5895 H 1 UNL1111111111 0.1467 62 H 6.3270 -2.7607 1.8077 H 1 UNL1111111111 0.1482 63 H 0.3824 4.4348 1.4756 H 1 UNL1111111111 0.1621 64 H 0.0696 3.2728 3.6467 H 1 UNL1111111111 0.1555 65 H -3.0122 0.0043 2.8433 H 1 UNL1111111111 0.3105 @BOND 1 1 2 1 2 1 6 1 3 1 37 1 4 1 38 1 5 2 3 1 6 2 23 1 7 2 24 1 8 3 4 1 9 3 39 1 10 3 40 1 11 4 5 2 12 4 36 1 13 5 6 1 14 5 9 1 15 6 31 2 16 7 10 ar 17 7 33 ar 18 7 36 1 19 8 9 1 20 8 13 am 21 8 33 1 22 9 12 1 23 9 41 1 24 10 35 ar 25 10 42 1 26 11 33 ar 27 11 34 ar 28 11 43 1 29 12 17 ar 30 12 26 ar 31 13 14 1 32 13 32 2 33 14 44 1 34 14 45 1 35 14 46 1 36 15 25 1 37 15 26 ar 38 15 27 ar 39 16 17 ar 40 16 27 ar 41 16 47 1 42 17 48 1 43 18 27 1 44 18 28 1 45 19 22 ar 46 19 28 1 47 19 30 ar 48 20 21 ar 49 20 29 ar 50 20 49 1 51 21 22 ar 52 21 50 1 53 22 51 1 54 23 52 1 55 23 53 1 56 23 54 1 57 24 55 1 58 24 56 1 59 24 57 1 60 26 58 1 61 28 59 1 62 28 60 1 63 29 30 ar 64 29 61 1 65 30 62 1 66 34 35 ar 67 34 63 1 68 35 64 1 69 36 65 1