@MOLECULE 1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)-3-isoquinolinamine 43 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.4873 1.6158 0.2083 C.ar 1 UNL111111111 0.4116 2 C -0.9100 2.8843 0.2887 C.ar 1 UNL111111111 -0.3999 3 C 3.2541 3.2034 -0.3368 C.ar 1 UNL111111111 -0.1967 4 C 2.2480 -1.0765 0.5443 C.ar 1 UNL111111111 -0.2460 5 C 2.9477 -2.2713 0.3145 C.ar 1 UNL111111111 0.2509 6 C 1.1358 4.2735 0.1515 C.ar 1 UNL111111111 -0.2089 7 N -2.8546 1.4689 0.3852 N.pl3 1 UNL111111111 -0.4536 8 C 2.4861 4.3636 -0.0605 C.ar 1 UNL111111111 -0.0897 9 C 1.2559 1.8494 -0.1558 C.ar 1 UNL111111111 -0.1747 10 C -4.3046 -1.8337 0.0488 C.ar 1 UNL111111111 0.1067 11 C -4.4983 -3.2886 -0.0713 C.3 1 UNL111111111 -0.4455 12 C -3.1303 -1.0818 0.1336 C.ar 1 UNL111111111 -0.3097 13 N -5.3646 -0.9421 0.1092 N.ar 1 UNL111111111 -0.2117 14 N -4.9353 0.3431 0.2241 N.ar 1 UNL111111111 -0.3562 15 C -3.5601 0.2763 0.2424 C.ar 1 UNL111111111 0.2690 16 N -0.7404 0.4781 -0.0217 N.ar 1 UNL111111111 -0.4486 17 C 0.4829 3.0078 0.0998 C.ar 1 UNL111111111 0.1335 18 C 2.6502 1.9739 -0.3832 C.ar 1 UNL111111111 -0.0822 19 C 0.5685 0.5930 -0.1822 C.ar 1 UNL111111111 0.2531 20 C 1.3083 -0.6716 -0.3959 C.ar 1 UNL111111111 0.0383 21 C 1.0535 -1.4403 -1.5363 C.ar 1 UNL111111111 -0.1876 22 C 1.7609 -2.6206 -1.7410 C.ar 1 UNL111111111 -0.0788 23 C 2.7185 -3.0478 -0.8209 C.ar 1 UNL111111111 -0.2975 24 O 3.8412 -2.5514 1.3009 O.3 1 UNL111111111 -0.3134 25 C 4.5996 -3.7452 1.1722 C.3 1 UNL111111111 -0.2039 26 H -1.5051 3.7661 0.4883 H 1 UNL111111111 0.1754 27 H 4.3222 3.3080 -0.5098 H 1 UNL111111111 0.1533 28 H 2.4399 -0.4984 1.4462 H 1 UNL111111111 0.1823 29 H 0.5396 5.1586 0.3606 H 1 UNL111111111 0.1577 30 H -3.4148 2.3130 0.4916 H 1 UNL111111111 0.3302 31 H 2.9921 5.3277 -0.0222 H 1 UNL111111111 0.1460 32 H -4.7466 -3.7469 0.9003 H 1 UNL111111111 0.1677 33 H -5.2954 -3.5577 -0.7794 H 1 UNL111111111 0.1580 34 H -3.5761 -3.7811 -0.4264 H 1 UNL111111111 0.1789 35 H -2.1179 -1.4315 0.1205 H 1 UNL111111111 0.2121 36 H -6.3459 -1.1105 0.0844 H 1 UNL111111111 0.3263 37 H 3.2319 1.0757 -0.5982 H 1 UNL111111111 0.1591 38 H 0.2958 -1.1171 -2.2486 H 1 UNL111111111 0.1716 39 H 1.5652 -3.2215 -2.6283 H 1 UNL111111111 0.1459 40 H 3.2628 -3.9678 -0.9956 H 1 UNL111111111 0.1569 41 H 3.9493 -4.6252 1.1709 H 1 UNL111111111 0.1334 42 H 5.2331 -3.7126 0.2808 H 1 UNL111111111 0.1327 43 H 5.2157 -3.7268 2.0820 H 1 UNL111111111 0.1541 @BOND 1 1 7 1 2 1 2 ar 3 2 26 1 4 3 8 ar 5 3 27 1 6 4 28 1 7 5 24 1 8 5 4 ar 9 6 29 1 10 7 30 1 11 8 6 ar 12 8 31 1 13 9 17 ar 14 10 12 ar 15 10 13 ar 16 11 10 1 17 11 32 1 18 11 33 1 19 11 34 1 20 12 15 ar 21 12 35 1 22 13 14 ar 23 13 36 1 24 15 14 ar 25 15 7 1 26 16 1 ar 27 17 2 ar 28 17 6 ar 29 18 9 ar 30 18 3 ar 31 18 37 1 32 19 16 ar 33 19 9 ar 34 20 4 ar 35 20 19 1 36 21 20 ar 37 21 38 1 38 22 23 ar 39 22 21 ar 40 22 39 1 41 23 5 ar 42 23 40 1 43 25 24 1 44 25 41 1 45 25 42 1 46 25 43 1