@MOLECULE (11as)-7,8-dimethoxy-2-(4-methoxyphenyl)-1,11a-dihydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9504 -2.1206 -0.7953 O.2 1 UNL111111111111 -0.5015 2 O -5.7287 -1.3582 0.8774 O.3 1 UNL111111111111 -0.3250 3 O -6.1380 1.4004 0.1965 O.3 1 UNL111111111111 -0.2905 4 O 7.8369 -0.5463 -0.1090 O.3 1 UNL111111111111 -0.3178 5 N 0.0684 -0.2576 -0.0813 N.am 1 UNL111111111111 -0.4749 6 N -1.7233 1.9054 -1.2008 N.2 1 UNL111111111111 -0.3549 7 C 0.1214 1.1754 0.2927 C.3 1 UNL111111111111 0.0233 8 C 1.6373 1.4641 0.4873 C.3 1 UNL111111111111 -0.2773 9 C 2.3088 0.1641 0.1051 C.2 1 UNL111111111111 -0.1250 10 C 1.3797 -0.7703 -0.2075 C.2 1 UNL111111111111 0.0620 11 C -0.5027 1.9918 -0.8265 C.2 1 UNL111111111111 0.0650 12 C -1.0756 -0.9676 -0.4358 C.2 1 UNL111111111111 0.6063 13 C 3.7454 0.0126 0.0856 C.ar 1 UNL111111111111 -0.0519 14 C -2.3902 -0.3084 -0.2841 C.ar 1 UNL111111111111 -0.2307 15 C -2.6583 1.0299 -0.6135 C.ar 1 UNL111111111111 0.1945 16 C 4.3435 -0.8619 -0.8382 C.ar 1 UNL111111111111 -0.0893 17 C 4.5540 0.7256 0.9748 C.ar 1 UNL111111111111 -0.0893 18 C -3.4265 -1.1284 0.1764 C.ar 1 UNL111111111111 -0.1133 19 C -3.9477 1.5494 -0.4399 C.ar 1 UNL111111111111 -0.2576 20 C -4.7049 -0.6195 0.3471 C.ar 1 UNL111111111111 0.0592 21 C -4.9710 0.7355 0.0524 C.ar 1 UNL111111111111 0.2275 22 C 5.7184 -1.0223 -0.8725 C.ar 1 UNL111111111111 -0.2429 23 C 5.9395 0.5790 0.9579 C.ar 1 UNL111111111111 -0.2969 24 C 6.5082 -0.2947 0.0331 C.ar 1 UNL111111111111 0.2461 25 C -5.8588 -2.6670 0.3285 C.3 1 UNL111111111111 -0.2002 26 C -7.2779 0.6774 0.6459 C.3 1 UNL111111111111 -0.1926 27 C 8.7264 0.1416 0.7586 C.3 1 UNL111111111111 -0.2027 28 H -0.4447 1.3332 1.2465 H 1 UNL111111111111 0.1635 29 H 1.8579 1.7383 1.5339 H 1 UNL111111111111 0.1580 30 H 1.9955 2.2980 -0.1402 H 1 UNL111111111111 0.1592 31 H 1.5036 -1.8048 -0.5074 H 1 UNL111111111111 0.1896 32 H 0.1525 2.6962 -1.3591 H 1 UNL111111111111 0.1779 33 H -3.2148 -2.1790 0.4011 H 1 UNL111111111111 0.1875 34 H 3.7173 -1.4146 -1.5400 H 1 UNL111111111111 0.1597 35 H 4.1008 1.4011 1.6991 H 1 UNL111111111111 0.1481 36 H -4.1585 2.5884 -0.7014 H 1 UNL111111111111 0.1979 37 H 6.1943 -1.6948 -1.5820 H 1 UNL111111111111 0.1731 38 H 6.5494 1.1381 1.6578 H 1 UNL111111111111 0.1601 39 H -6.8028 -3.0135 0.7666 H 1 UNL111111111111 0.1449 40 H -5.9254 -2.6317 -0.7629 H 1 UNL111111111111 0.1372 41 H -5.0322 -3.3078 0.6518 H 1 UNL111111111111 0.1378 42 H -7.1155 0.2820 1.6548 H 1 UNL111111111111 0.1465 43 H -7.5366 -0.1217 -0.0548 H 1 UNL111111111111 0.1413 44 H -8.0502 1.4581 0.6533 H 1 UNL111111111111 0.1468 45 H 8.6744 1.2221 0.5945 H 1 UNL111111111111 0.1334 46 H 8.5321 -0.1156 1.8043 H 1 UNL111111111111 0.1343 47 H 9.7042 -0.2482 0.4434 H 1 UNL111111111111 0.1535 @BOND 1 1 12 2 2 2 20 1 3 2 25 1 4 3 21 1 5 3 26 1 6 4 24 1 7 4 27 1 8 5 7 1 9 5 10 1 10 5 12 am 11 6 11 2 12 6 15 1 13 7 8 1 14 7 11 1 15 7 28 1 16 8 9 1 17 8 29 1 18 8 30 1 19 9 10 2 20 9 13 1 21 10 31 1 22 11 32 1 23 12 14 1 24 13 16 ar 25 13 17 ar 26 14 15 ar 27 14 18 ar 28 15 19 ar 29 16 22 ar 30 16 34 1 31 17 23 ar 32 17 35 1 33 18 20 ar 34 18 33 1 35 19 21 ar 36 19 36 1 37 20 21 ar 38 22 24 ar 39 22 37 1 40 23 24 ar 41 23 38 1 42 25 39 1 43 25 40 1 44 25 41 1 45 26 42 1 46 26 43 1 47 26 44 1 48 27 45 1 49 27 46 1 50 27 47 1