@MOLECULE 2-[2-(1h-imidazol-1-yl)ethyl]-4-(3-pyridinyl)-1(2h)-phthalazinone 39 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.8967 -2.0002 -0.7259 O.2 1 UNL1 -0.5002 2 N -1.4549 -0.3403 -1.2287 N.ar 1 UNL1 -0.3019 3 N -2.5367 1.9139 0.3487 N.ar 1 UNL1 -0.2527 4 N -0.2650 0.2806 -1.1277 N.ar 1 UNL1 -0.1315 5 N -1.1022 2.4254 1.9944 N.ar 1 UNL1 -0.3837 6 N 4.2358 0.8086 -1.1622 N.ar 1 UNL1 -0.3742 7 C -2.5398 0.5280 -1.7149 C.3 1 UNL1 -0.0656 8 C -3.3630 1.1123 -0.5336 C.3 1 UNL1 -0.1236 9 C 0.6155 -1.6410 0.0833 C.ar 1 UNL1 0.0137 10 C -0.6318 -2.2785 -0.0025 C.ar 1 UNL1 -0.1497 11 C 0.7284 -0.3182 -0.5131 C.ar 1 UNL1 0.0358 12 C -1.7557 -1.5946 -0.6469 C.ar 1 UNL1 0.5361 13 C 1.9796 0.4429 -0.4120 C.ar 1 UNL1 -0.1106 14 C 1.6768 -2.2864 0.7321 C.ar 1 UNL1 -0.1539 15 C -0.8196 -3.5518 0.5492 C.ar 1 UNL1 -0.0721 16 C 1.4861 -3.5493 1.2725 C.ar 1 UNL1 -0.0911 17 C 0.2397 -4.1846 1.1812 C.ar 1 UNL1 -0.1634 18 C -1.9980 3.1621 0.0391 C.ar 1 UNL1 -0.1298 19 C -1.9496 1.4871 1.5422 C.ar 1 UNL1 0.0698 20 C 2.0891 1.4988 0.4953 C.ar 1 UNL1 -0.0510 21 C 3.0769 0.1302 -1.2305 C.ar 1 UNL1 0.0665 22 C -1.1193 3.4685 1.0792 C.ar 1 UNL1 -0.0763 23 C 3.2883 2.2036 0.5631 C.ar 1 UNL1 -0.2364 24 C 4.3373 1.8252 -0.2840 C.ar 1 UNL1 0.0573 25 H -3.2073 -0.0858 -2.3675 H 1 UNL1 0.1743 26 H -2.1087 1.3494 -2.3357 H 1 UNL1 0.1761 27 H -4.1993 1.7298 -0.9376 H 1 UNL1 0.1622 28 H -3.8348 0.2788 0.0445 H 1 UNL1 0.1795 29 H 2.6450 -1.7906 0.8098 H 1 UNL1 0.1701 30 H -1.8002 -4.0295 0.4726 H 1 UNL1 0.1749 31 H 2.3108 -4.0555 1.7759 H 1 UNL1 0.1556 32 H 0.1072 -5.1766 1.6104 H 1 UNL1 0.1581 33 H -2.2602 3.7094 -0.8386 H 1 UNL1 0.1733 34 H -2.1761 0.5534 2.0239 H 1 UNL1 0.1863 35 H 1.2430 1.7686 1.1379 H 1 UNL1 0.1897 36 H 3.0339 -0.6812 -1.9663 H 1 UNL1 0.1769 37 H -0.5201 4.3439 1.2311 H 1 UNL1 0.1768 38 H 3.4052 3.0313 1.2569 H 1 UNL1 0.1696 39 H 5.3015 2.3454 -0.2739 H 1 UNL1 0.1652 @BOND 1 25 7 1 2 26 7 1 3 36 21 1 4 7 2 1 5 7 8 1 6 21 6 ar 7 21 13 ar 8 2 4 ar 9 2 12 ar 10 6 24 ar 11 4 11 ar 12 27 8 1 13 33 18 1 14 1 12 2 15 12 10 ar 16 8 28 1 17 8 3 1 18 11 13 1 19 11 9 ar 20 13 20 ar 21 24 39 1 22 24 23 ar 23 10 9 ar 24 10 15 ar 25 18 3 ar 26 18 22 ar 27 9 14 ar 28 3 19 ar 29 30 15 1 30 20 23 ar 31 20 35 1 32 15 17 ar 33 23 38 1 34 14 29 1 35 14 16 ar 36 22 37 1 37 22 5 ar 38 17 16 ar 39 17 32 1 40 16 31 1 41 19 5 ar 42 19 34 1