@MOLECULE (4z)-6-bromo-4-({[4-(1-pyrrolidinylmethyl)phenyl]amino}methylene)-1,3(2h,4h)-isoquinolinedione 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.3143 -1.6022 0.2035 C.ar 1 UNL1111111111 -0.0993 2 C 3.0221 -2.0894 0.0594 C.ar 1 UNL1111111111 -0.1978 3 C 1.9471 -1.3467 0.5702 C.ar 1 UNL1111111111 0.1424 4 C 2.1693 -0.1414 1.2446 C.ar 1 UNL1111111111 -0.2038 5 C 3.4699 0.3384 1.3715 C.ar 1 UNL1111111111 -0.1435 6 C 4.5426 -0.3805 0.8450 C.ar 1 UNL1111111111 -0.0238 7 C 5.9425 0.1520 0.9870 C.3 1 UNL1111111111 -0.1392 8 N 6.7056 -0.0705 -0.2677 N.3 1 UNL1111111111 -0.4063 9 C 8.1212 0.3626 -0.1243 C.3 1 UNL1111111111 -0.1133 10 C 8.2415 1.8127 -0.6517 C.3 1 UNL1111111111 -0.2977 11 C 6.9597 2.0594 -1.4674 C.3 1 UNL1111111111 -0.2974 12 C 6.1703 0.7311 -1.3999 C.3 1 UNL1111111111 -0.1164 13 N 0.6364 -1.8661 0.3921 N.pl3 1 UNL1111111111 -0.3946 14 C -0.4469 -1.0733 0.2697 C.2 1 UNL1111111111 0.2200 15 C -1.7310 -1.5570 0.0575 C.2 1 UNL1111111111 -0.4217 16 C -2.8623 -0.6676 -0.0538 C.ar 1 UNL1111111111 0.1751 17 C -2.7333 0.7296 0.0671 C.ar 1 UNL1111111111 -0.2572 18 C -3.8563 1.5293 -0.0490 C.ar 1 UNL1111111111 0.0664 19 C -5.1290 1.0174 -0.2816 C.ar 1 UNL1111111111 -0.2328 20 C -5.2635 -0.3608 -0.4023 C.ar 1 UNL1111111111 -0.0184 21 C -4.1459 -1.1929 -0.2898 C.ar 1 UNL1111111111 -0.2184 22 C -4.3652 -2.6411 -0.4254 C.2 1 UNL1111111111 0.6062 23 O -5.4379 -3.1644 -0.6334 O.2 1 UNL1111111111 -0.4880 24 N -3.2370 -3.4719 -0.3008 N.am 1 UNL1111111111 -0.6099 25 C -1.9436 -2.9907 -0.0661 C.2 1 UNL1111111111 0.6560 26 O -1.0510 -3.8277 0.0151 O.2 1 UNL1111111111 -0.5960 27 BR -3.6478 3.4140 0.1172 Br 1 UNL1111111111 -0.0663 28 H 5.1660 -2.1608 -0.1977 H 1 UNL1111111111 0.1825 29 H 2.8480 -3.0349 -0.4535 H 1 UNL1111111111 0.1715 30 H 1.3460 0.4180 1.6833 H 1 UNL1111111111 0.1634 31 H 3.6450 1.2816 1.8881 H 1 UNL1111111111 0.1561 32 H 5.9365 1.2206 1.2966 H 1 UNL1111111111 0.1298 33 H 6.4586 -0.4125 1.8025 H 1 UNL1111111111 0.1569 34 H 8.4839 0.2636 0.9128 H 1 UNL1111111111 0.1302 35 H 8.7263 -0.3337 -0.7454 H 1 UNL1111111111 0.1476 36 H 8.3317 2.5323 0.1765 H 1 UNL1111111111 0.1365 37 H 9.1449 1.9359 -1.2684 H 1 UNL1111111111 0.1416 38 H 6.3736 2.8915 -1.0469 H 1 UNL1111111111 0.1369 39 H 7.1855 2.3345 -2.5089 H 1 UNL1111111111 0.1427 40 H 6.3330 0.1278 -2.3195 H 1 UNL1111111111 0.1469 41 H 5.0817 0.8931 -1.3128 H 1 UNL1111111111 0.1363 42 H 0.5211 -2.8942 0.2949 H 1 UNL1111111111 0.3670 43 H -0.2818 0.0188 0.3365 H 1 UNL1111111111 0.1690 44 H -1.7584 1.1751 0.2502 H 1 UNL1111111111 0.1653 45 H -6.0001 1.6635 -0.3686 H 1 UNL1111111111 0.1746 46 H -6.2479 -0.8073 -0.5866 H 1 UNL1111111111 0.1809 47 H -3.3652 -4.4825 -0.3882 H 1 UNL1111111111 0.3399 @BOND 1 1 2 ar 2 1 6 ar 3 1 28 1 4 2 3 ar 5 2 29 1 6 3 4 ar 7 3 13 1 8 4 5 ar 9 4 30 1 10 5 6 ar 11 5 31 1 12 6 7 1 13 7 8 1 14 7 32 1 15 7 33 1 16 8 9 1 17 8 12 1 18 9 10 1 19 9 34 1 20 9 35 1 21 10 11 1 22 10 36 1 23 10 37 1 24 11 12 1 25 11 38 1 26 11 39 1 27 12 40 1 28 12 41 1 29 13 14 1 30 13 42 1 31 14 15 2 32 14 43 1 33 15 16 1 34 15 25 1 35 16 17 ar 36 16 21 ar 37 17 18 ar 38 17 44 1 39 18 19 ar 40 18 27 1 41 19 20 ar 42 19 45 1 43 20 21 ar 44 20 46 1 45 21 22 1 46 22 23 2 47 22 24 am 48 24 25 am 49 24 47 1 50 25 26 2