@MOLECULE 6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydro-1(2h)-isoquinolinone 53 58 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.0787 -0.5471 -0.1535 N.ar 1 UNL111111111 -0.0830 2 N 0.0248 0.7770 -0.5062 N.ar 1 UNL111111111 -0.3498 3 C -1.3009 1.1089 -0.5167 C.ar 1 UNL111111111 0.2771 4 C -2.1067 -0.0430 -0.1895 C.ar 1 UNL111111111 -0.2454 5 C -1.1842 -1.0717 0.0359 C.ar 1 UNL111111111 -0.0309 6 C -3.5438 -0.1231 -0.1193 C.ar 1 UNL111111111 0.1021 7 C -4.2792 0.9089 0.4773 C.ar 1 UNL111111111 -0.2369 8 C -5.6676 0.8328 0.5258 C.ar 1 UNL111111111 0.0764 9 C -6.3225 -0.2778 -0.0179 C.ar 1 UNL111111111 -0.1798 10 C -5.5927 -1.3138 -0.5992 C.ar 1 UNL111111111 -0.0505 11 C -4.2052 -1.2375 -0.6520 C.ar 1 UNL111111111 -0.2113 12 C -7.7980 -0.3818 0.0362 C.2 1 UNL111111111 0.5957 13 N -8.5074 0.7715 0.3202 N.am 1 UNL111111111 -0.6105 14 C -7.8357 2.0650 0.4637 C.3 1 UNL111111111 -0.0497 15 C -6.4804 1.9049 1.1795 C.3 1 UNL111111111 -0.3153 16 O -8.4131 -1.4173 -0.1405 O.2 1 UNL111111111 -0.5382 17 N -1.7277 2.4079 -0.7482 N.pl3 1 UNL111111111 -0.5801 18 C 1.3326 -1.1989 -0.0478 C.ar 1 UNL111111111 0.1780 19 C 2.5186 -0.4611 -0.1548 C.ar 1 UNL111111111 -0.1722 20 C 3.7439 -1.1194 -0.0573 C.ar 1 UNL111111111 0.0289 21 C 3.7859 -2.5016 0.1502 C.ar 1 UNL111111111 -0.1740 22 C 2.6011 -3.2242 0.2574 C.ar 1 UNL111111111 -0.1069 23 C 1.3683 -2.5857 0.1587 C.ar 1 UNL111111111 -0.2221 24 C 4.9920 -0.3520 -0.1747 C.ar 1 UNL111111111 0.0103 25 C 5.9389 -0.4245 0.8341 C.ar 1 UNL111111111 -0.2171 26 C 7.1032 0.3356 0.6714 C.ar 1 UNL111111111 0.1007 27 N 8.2126 0.4704 1.5057 N.ar 1 UNL111111111 -0.3798 28 C 9.1135 1.3531 0.8989 C.ar 1 UNL111111111 -0.0190 29 C 8.6010 1.7822 -0.3119 C.ar 1 UNL111111111 -0.2541 30 C 7.3231 1.1530 -0.4848 C.ar 1 UNL111111111 -0.0612 31 C 6.3455 1.1966 -1.4846 C.ar 1 UNL111111111 -0.1081 32 C 5.1936 0.4514 -1.3225 C.ar 1 UNL111111111 -0.1854 33 H -1.3693 -2.0898 0.3238 H 1 UNL111111111 0.1824 34 H -3.7562 1.7552 0.9211 H 1 UNL111111111 0.1724 35 H -6.1203 -2.1819 -1.0057 H 1 UNL111111111 0.1753 36 H -3.6313 -2.0377 -1.1143 H 1 UNL111111111 0.1627 37 H -9.5127 0.7438 0.3599 H 1 UNL111111111 0.3211 38 H -7.6772 2.5164 -0.5453 H 1 UNL111111111 0.1379 39 H -8.4918 2.7583 1.0345 H 1 UNL111111111 0.1376 40 H -6.6400 1.6366 2.2480 H 1 UNL111111111 0.1716 41 H -5.9473 2.8758 1.1919 H 1 UNL111111111 0.1602 42 H -1.0422 3.0383 -1.1314 H 1 UNL111111111 0.2966 43 H -2.6430 2.5014 -1.1539 H 1 UNL111111111 0.2921 44 H 2.4819 0.6219 -0.3092 H 1 UNL111111111 0.1995 45 H 4.7462 -3.0096 0.2194 H 1 UNL111111111 0.1612 46 H 2.6362 -4.3017 0.4177 H 1 UNL111111111 0.1530 47 H 0.4538 -3.1673 0.2377 H 1 UNL111111111 0.1618 48 H 5.7837 -1.0344 1.7172 H 1 UNL111111111 0.1627 49 H 10.0428 1.6036 1.3757 H 1 UNL111111111 0.1635 50 H 9.0539 2.4581 -1.0037 H 1 UNL111111111 0.1674 51 H 6.5000 1.8134 -2.3671 H 1 UNL111111111 0.1552 52 H 4.4173 0.4724 -2.0874 H 1 UNL111111111 0.1649 53 H 8.3339 0.0262 2.3842 H 1 UNL111111111 0.3129 @BOND 1 1 5 ar 2 2 1 ar 3 2 3 ar 4 3 4 ar 5 4 6 1 6 5 4 ar 7 5 33 1 8 6 11 ar 9 6 7 ar 10 7 8 ar 11 7 34 1 12 8 9 ar 13 8 15 1 14 9 12 1 15 10 9 ar 16 10 35 1 17 11 10 ar 18 11 36 1 19 12 16 2 20 12 13 am 21 13 37 1 22 14 13 1 23 14 38 1 24 14 39 1 25 15 14 1 26 15 40 1 27 15 41 1 28 17 3 1 29 17 42 1 30 17 43 1 31 18 1 1 32 18 23 ar 33 19 18 ar 34 19 44 1 35 20 19 ar 36 20 21 ar 37 21 22 ar 38 21 45 1 39 22 23 ar 40 22 46 1 41 23 47 1 42 24 20 1 43 25 24 ar 44 25 48 1 45 26 25 ar 46 27 26 ar 47 27 53 1 48 28 27 ar 49 28 49 1 50 29 28 ar 51 29 30 ar 52 29 50 1 53 30 26 ar 54 30 31 ar 55 31 32 ar 56 31 51 1 57 32 24 ar 58 32 52 1