@MOLECULE 6-(3,4-dihydro-2(1h)-isoquinolinyl)-3-methyl[1,2,4]triazolo[3,4-a]phthalazine 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.0635 3.9730 -0.2576 C.3 1 UNL1111111111 -0.9747 2 C -1.8790 2.8156 0.1307 C.ar 1 UNL1111111111 0.4658 3 N -1.5457 1.4743 -0.0968 N.ar 1 UNL1111111111 -0.2091 4 N -0.4233 0.9782 -0.6604 N.ar 1 UNL1111111111 -0.1817 5 C -0.3369 -0.3413 -0.7693 C.ar 1 UNL1111111111 0.3021 6 C -1.3907 -1.2667 -0.3272 C.ar 1 UNL1111111111 -0.0226 7 C -1.3448 -2.6467 -0.5713 C.ar 1 UNL1111111111 -0.0632 8 C -2.3605 -3.4715 -0.1119 C.ar 1 UNL1111111111 -0.2697 9 C -3.4506 -2.9365 0.5868 C.ar 1 UNL1111111111 -0.0748 10 C -3.5394 -1.5698 0.7987 C.ar 1 UNL1111111111 -0.2759 11 C -2.5199 -0.7316 0.3290 C.ar 1 UNL1111111111 0.0662 12 C -2.5962 0.6944 0.4539 C.ar 1 UNL1111111111 0.0897 13 N -3.5025 1.5572 0.9727 N.ar 1 UNL1111111111 -0.2159 14 N -3.0743 2.8082 0.7782 N.ar 1 UNL1111111111 -0.2681 15 N 0.7982 -0.8846 -1.4247 N.pl3 1 UNL1111111111 -0.3392 16 C 1.6864 -1.6593 -0.5253 C.3 1 UNL1111111111 -0.5341 17 C 2.7501 -0.8453 0.1601 C.ar 1 UNL1111111111 0.2677 18 C 3.3818 -1.3859 1.2820 C.ar 1 UNL1111111111 -0.4017 19 C 4.3850 -0.6736 1.9312 C.ar 1 UNL1111111111 -0.1472 20 C 4.7571 0.5861 1.4617 C.ar 1 UNL1111111111 -0.1493 21 C 4.1284 1.1271 0.3449 C.ar 1 UNL1111111111 -0.3604 22 C 3.1234 0.4131 -0.3153 C.ar 1 UNL1111111111 0.1506 23 C 2.4473 1.0374 -1.4923 C.3 1 UNL1111111111 -0.4344 24 C 1.5751 0.0408 -2.2755 C.3 1 UNL1111111111 -0.3913 25 H -0.5668 3.8212 -1.2307 H 1 UNL1111111111 0.2851 26 H -1.6778 4.8883 -0.3308 H 1 UNL1111111111 0.3137 27 H -0.2697 4.1707 0.4855 H 1 UNL1111111111 0.3197 28 H -0.5165 -3.0681 -1.1452 H 1 UNL1111111111 0.1766 29 H -2.3162 -4.5433 -0.2996 H 1 UNL1111111111 0.1986 30 H -4.2356 -3.5980 0.9530 H 1 UNL1111111111 0.1764 31 H -4.3944 -1.1290 1.3190 H 1 UNL1111111111 0.2333 32 H 1.0743 -2.2046 0.2314 H 1 UNL1111111111 0.2060 33 H 2.1727 -2.4398 -1.1648 H 1 UNL1111111111 0.3134 34 H 2.2128 -0.5986 -2.9293 H 1 UNL1111111111 0.2569 35 H 0.8722 0.5883 -2.9436 H 1 UNL1111111111 0.2488 36 H 3.0870 -2.3652 1.6549 H 1 UNL1111111111 0.2426 37 H 4.8750 -1.0957 2.8060 H 1 UNL1111111111 0.1758 38 H 5.5373 1.1475 1.9722 H 1 UNL1111111111 0.1778 39 H 4.4167 2.1128 -0.0146 H 1 UNL1111111111 0.2217 40 H 1.8131 1.8828 -1.1317 H 1 UNL1111111111 0.2399 41 H 3.1881 1.4951 -2.1771 H 1 UNL1111111111 0.1852 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 ar 6 2 14 ar 7 3 4 ar 8 3 12 ar 9 4 5 ar 10 5 6 ar 11 5 15 1 12 6 7 ar 13 6 11 ar 14 7 8 ar 15 7 28 1 16 8 9 ar 17 8 29 1 18 9 10 ar 19 9 30 1 20 10 11 ar 21 10 31 1 22 11 12 ar 23 12 13 ar 24 13 14 ar 25 15 16 1 26 15 24 1 27 16 17 1 28 16 32 1 29 16 33 1 30 17 18 ar 31 17 22 ar 32 18 19 ar 33 18 36 1 34 19 20 ar 35 19 37 1 36 20 21 ar 37 20 38 1 38 21 22 ar 39 21 39 1 40 22 23 1 41 23 24 1 42 23 40 1 43 23 41 1 44 24 34 1 45 24 35 1