@MOLECULE 4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1h)-yl]benzoic acid 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7921 -3.5306 0.4663 O.2 1 UNL1111111111 -0.4527 2 O 2.3987 3.5809 0.4522 O.3 1 UNL1111111111 -0.4746 3 O -6.1936 2.4106 -1.0494 O.3 1 UNL1111111111 -0.5671 4 O -7.3009 0.7627 -0.0487 O.2 1 UNL1111111111 -0.5144 5 N -1.2049 -1.3703 -0.1937 N.am 1 UNL1111111111 -0.5087 6 N 1.5135 -3.7261 0.4627 N.ar 1 UNL1111111111 -0.0782 7 N 2.7179 -3.1408 0.2795 N.ar 1 UNL1111111111 -0.2300 8 C 0.0646 -0.6046 -0.4851 C.3 1 UNL1111111111 0.1108 9 C 1.1104 -1.6315 -0.2219 C.ar 1 UNL1111111111 -0.1543 10 C 0.5094 -2.8484 0.1743 C.ar 1 UNL1111111111 -0.1345 11 C -0.9549 -2.7126 0.1964 C.2 1 UNL1111111111 0.6179 12 C 0.2995 0.5870 0.4122 C.ar 1 UNL1111111111 0.0316 13 C 2.5011 -1.8471 -0.1360 C.ar 1 UNL1111111111 0.0832 14 C -2.4582 -0.7474 -0.2728 C.ar 1 UNL1111111111 0.2944 15 C 3.5520 -0.8750 -0.3803 C.ar 1 UNL1111111111 -0.0288 16 C 1.2086 1.5463 -0.0410 C.ar 1 UNL1111111111 -0.3228 17 C -0.3000 0.7143 1.6606 C.ar 1 UNL1111111111 -0.2133 18 C -3.6099 -1.3757 0.2363 C.ar 1 UNL1111111111 -0.2661 19 C -2.5631 0.5294 -0.8618 C.ar 1 UNL1111111111 -0.2826 20 C 1.5090 2.6159 0.7995 C.ar 1 UNL1111111111 0.3057 21 C 3.6447 -0.2562 -1.6305 C.ar 1 UNL1111111111 -0.1261 22 C 4.4155 -0.5035 0.6523 C.ar 1 UNL1111111111 -0.1021 23 C 0.0027 1.8114 2.4733 C.ar 1 UNL1111111111 -0.0671 24 C -4.8358 -0.7313 0.1625 C.ar 1 UNL1111111111 -0.0192 25 C -3.7947 1.1640 -0.9268 C.ar 1 UNL1111111111 -0.0106 26 C 0.9124 2.7728 2.0571 C.ar 1 UNL1111111111 -0.2399 27 C -4.9341 0.5396 -0.4139 C.ar 1 UNL1111111111 -0.2145 28 C 4.5791 0.7526 -1.8352 C.ar 1 UNL1111111111 -0.2040 29 C 5.3487 0.5081 0.4437 C.ar 1 UNL1111111111 -0.1849 30 C 5.4296 1.1451 -0.7965 C.ar 1 UNL1111111111 0.0598 31 C 6.4143 2.2404 -1.0238 C.3 1 UNL1111111111 -0.4601 32 C -6.2471 1.1829 -0.4578 C.2 1 UNL1111111111 0.6543 33 H 0.0393 -0.2993 -1.5681 H 1 UNL1111111111 0.1756 34 H 1.4633 -4.6830 0.7572 H 1 UNL1111111111 0.3402 35 H 1.6913 1.4487 -1.0081 H 1 UNL1111111111 0.1679 36 H -1.0055 -0.0354 2.0143 H 1 UNL1111111111 0.1687 37 H -3.5551 -2.3659 0.6934 H 1 UNL1111111111 0.1994 38 H -1.6879 1.0364 -1.2601 H 1 UNL1111111111 0.1701 39 H 2.9873 -0.5696 -2.4407 H 1 UNL1111111111 0.1575 40 H 4.3485 -1.0008 1.6204 H 1 UNL1111111111 0.1645 41 H -0.4800 1.9064 3.4466 H 1 UNL1111111111 0.1552 42 H -5.7347 -1.2149 0.5602 H 1 UNL1111111111 0.1736 43 H -3.8735 2.1573 -1.3793 H 1 UNL1111111111 0.1716 44 H 1.1705 3.6275 2.6762 H 1 UNL1111111111 0.1750 45 H 4.6551 1.2320 -2.8085 H 1 UNL1111111111 0.1553 46 H 6.0128 0.8036 1.2539 H 1 UNL1111111111 0.1591 47 H 5.9143 3.1879 -1.2716 H 1 UNL1111111111 0.1584 48 H 7.0469 2.4343 -0.1466 H 1 UNL1111111111 0.1590 49 H 7.0916 2.0043 -1.8586 H 1 UNL1111111111 0.1628 50 H 2.8509 3.3805 -0.4033 H 1 UNL1111111111 0.3296 51 H -7.0730 2.8597 -1.0857 H 1 UNL1111111111 0.3550 @BOND 1 1 11 2 2 2 20 1 3 2 50 1 4 3 32 1 5 3 51 1 6 4 32 2 7 5 8 1 8 5 11 am 9 5 14 1 10 6 7 ar 11 6 10 ar 12 6 34 1 13 7 13 ar 14 8 9 1 15 8 12 1 16 8 33 1 17 9 10 ar 18 9 13 ar 19 10 11 1 20 12 16 ar 21 12 17 ar 22 13 15 1 23 14 18 ar 24 14 19 ar 25 15 21 ar 26 15 22 ar 27 16 20 ar 28 16 35 1 29 17 23 ar 30 17 36 1 31 18 24 ar 32 18 37 1 33 19 25 ar 34 19 38 1 35 20 26 ar 36 21 28 ar 37 21 39 1 38 22 29 ar 39 22 40 1 40 23 26 ar 41 23 41 1 42 24 27 ar 43 24 42 1 44 25 27 ar 45 25 43 1 46 26 44 1 47 27 32 1 48 28 30 ar 49 28 45 1 50 29 30 ar 51 29 46 1 52 30 31 1 53 31 47 1 54 31 48 1 55 31 49 1