@MOLECULE (11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one 66 70 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.0908 2.0443 -2.4926 Cl 1 UNL1111111111 -0.0748 2 C 0.7000 0.7948 -1.4961 C.ar 1 UNL1111111111 0.0919 3 C 2.0716 0.7244 -1.3414 C.ar 1 UNL1111111111 -0.2799 4 C 2.5791 -0.3007 -0.5261 C.ar 1 UNL1111111111 0.2750 5 O 3.9322 -0.2688 -0.4298 O.3 1 UNL1111111111 -0.3242 6 C 4.5530 -1.3087 0.3352 C.3 1 UNL1111111111 -0.0574 7 C 6.0257 -1.0511 0.2233 C.ar 1 UNL1111111111 -0.0234 8 C 6.5082 0.2396 0.0086 C.ar 1 UNL1111111111 -0.1359 9 C 7.8819 0.4588 -0.0793 C.ar 1 UNL1111111111 -0.1451 10 C 8.7711 -0.6054 0.0572 C.ar 1 UNL1111111111 -0.1521 11 C 8.2861 -1.8940 0.2757 C.ar 1 UNL1111111111 -0.1409 12 C 6.9142 -2.1205 0.3541 C.ar 1 UNL1111111111 -0.1706 13 C 1.7345 -1.2214 0.0938 C.ar 1 UNL1111111111 -0.3134 14 C 0.3580 -1.1073 -0.0940 C.ar 1 UNL1111111111 -0.0457 15 C -0.1863 -0.0907 -0.8783 C.ar 1 UNL1111111111 -0.1333 16 C -1.6798 0.0507 -1.0744 C.3 1 UNL1111111111 0.1587 17 N -2.1187 1.3805 -0.5794 N.am 1 UNL1111111111 -0.5268 18 C -3.1190 2.0804 -1.2518 C.2 1 UNL1111111111 0.6266 19 O -3.5500 1.6421 -2.2951 O.2 1 UNL1111111111 -0.5045 20 C -3.6184 3.3498 -0.6245 C.3 1 UNL1111111111 -0.5240 21 C -1.5395 1.7968 0.6388 C.ar 1 UNL1111111111 0.1924 22 C -0.7755 2.9766 0.6753 C.ar 1 UNL1111111111 -0.2187 23 C -0.1217 3.3629 1.8343 C.ar 1 UNL1111111111 -0.0894 24 C -2.4817 -1.0201 -0.4018 C.2 1 UNL1111111111 -0.3951 25 C -2.9282 -2.0763 -1.3166 C.2 1 UNL1111111111 0.5159 26 O -2.4450 -2.2106 -2.4188 O.2 1 UNL1111111111 -0.4762 27 C -3.9989 -3.0450 -0.8654 C.3 1 UNL1111111111 -0.4100 28 C -4.7542 -2.5752 0.3833 C.3 1 UNL1111111111 0.1472 29 C -5.6800 -1.4025 0.0405 C.3 1 UNL1111111111 -0.4748 30 C -5.5889 -3.7348 0.9469 C.3 1 UNL1111111111 -0.4740 31 C -3.7147 -2.1457 1.4454 C.3 1 UNL1111111111 -0.3486 32 C -2.8326 -1.0377 0.9128 C.2 1 UNL1111111111 0.3174 33 N -2.4803 -0.1428 1.9034 N.pl3 1 UNL1111111111 -0.4525 34 C -1.6616 0.9942 1.7890 C.ar 1 UNL1111111111 0.0502 35 C -0.9621 1.4173 2.9473 C.ar 1 UNL1111111111 0.2215 36 O -1.1018 0.5994 4.0300 O.3 1 UNL1111111111 -0.4982 37 C -0.2044 2.5772 2.9857 C.ar 1 UNL1111111111 -0.2819 38 H 2.7535 1.4204 -1.8267 H 1 UNL1111111111 0.1899 39 H 4.2124 -1.2345 1.3872 H 1 UNL1111111111 0.1424 40 H 4.2649 -2.2890 -0.0905 H 1 UNL1111111111 0.1449 41 H 5.8136 1.0740 -0.0963 H 1 UNL1111111111 0.1681 42 H 8.2594 1.4645 -0.2545 H 1 UNL1111111111 0.1505 43 H 9.8429 -0.4315 -0.0083 H 1 UNL1111111111 0.1493 44 H 8.9803 -2.7257 0.3819 H 1 UNL1111111111 0.1487 45 H 6.5408 -3.1291 0.5155 H 1 UNL1111111111 0.1507 46 H 2.1219 -2.0206 0.7150 H 1 UNL1111111111 0.1647 47 H -0.3018 -1.8345 0.3842 H 1 UNL1111111111 0.1620 48 H -1.8952 0.0221 -2.1981 H 1 UNL1111111111 0.2191 49 H -3.8146 3.2406 0.4497 H 1 UNL1111111111 0.1722 50 H -2.8994 4.1705 -0.7545 H 1 UNL1111111111 0.1776 51 H -4.5586 3.6613 -1.1071 H 1 UNL1111111111 0.1829 52 H -0.6831 3.5777 -0.2304 H 1 UNL1111111111 0.1810 53 H 0.4718 4.2770 1.8468 H 1 UNL1111111111 0.1592 54 H -4.7048 -3.2117 -1.7059 H 1 UNL1111111111 0.1796 55 H -3.5250 -4.0326 -0.6942 H 1 UNL1111111111 0.1688 56 H -6.4504 -1.6977 -0.6804 H 1 UNL1111111111 0.1519 57 H -6.1887 -1.0112 0.9258 H 1 UNL1111111111 0.1432 58 H -5.1244 -0.5690 -0.4145 H 1 UNL1111111111 0.1719 59 H -4.9665 -4.5885 1.2322 H 1 UNL1111111111 0.1438 60 H -6.1568 -3.4278 1.8311 H 1 UNL1111111111 0.1459 61 H -6.3153 -4.0924 0.2079 H 1 UNL1111111111 0.1527 62 H -4.2465 -1.8464 2.3700 H 1 UNL1111111111 0.1562 63 H -3.0832 -3.0139 1.7274 H 1 UNL1111111111 0.1663 64 H -2.6705 -0.4188 2.8693 H 1 UNL1111111111 0.3245 65 H -0.6010 0.9353 4.8117 H 1 UNL1111111111 0.3418 66 H 0.3224 2.8689 3.8888 H 1 UNL1111111111 0.1648 @BOND 1 1 2 1 2 2 3 ar 3 2 15 ar 4 3 4 ar 5 3 38 1 6 4 5 1 7 4 13 ar 8 5 6 1 9 6 7 1 10 6 39 1 11 6 40 1 12 7 8 ar 13 7 12 ar 14 8 9 ar 15 8 41 1 16 9 10 ar 17 9 42 1 18 10 11 ar 19 10 43 1 20 11 12 ar 21 11 44 1 22 12 45 1 23 13 14 ar 24 13 46 1 25 14 15 ar 26 14 47 1 27 15 16 1 28 16 17 1 29 16 24 1 30 16 48 1 31 17 18 am 32 17 21 1 33 18 19 2 34 18 20 1 35 20 49 1 36 20 50 1 37 20 51 1 38 21 22 ar 39 21 34 ar 40 22 23 ar 41 22 52 1 42 23 37 ar 43 23 53 1 44 24 25 1 45 24 32 2 46 25 26 2 47 25 27 1 48 27 28 1 49 27 54 1 50 27 55 1 51 28 29 1 52 28 30 1 53 28 31 1 54 29 56 1 55 29 57 1 56 29 58 1 57 30 59 1 58 30 60 1 59 30 61 1 60 31 32 1 61 31 62 1 62 31 63 1 63 32 33 1 64 33 34 1 65 33 64 1 66 34 35 ar 67 35 36 1 68 35 37 ar 69 36 65 1 70 37 66 1