@MOLECULE 4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1h-pyrazol-5-yl]-2,4-biphenyldiol 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 C -9.5744 2.4148 0.6899 C.3 1 UNL111111111 -0.3894 2 C -10.1917 1.6551 1.8402 C.3 1 UNL111111111 -0.3353 3 C -9.8546 0.9191 0.5587 C.3 1 UNL111111111 0.0320 4 N -8.7981 -0.0689 0.5832 N.3 1 UNL111111111 -0.5280 5 C -8.1512 -0.2226 -0.7502 C.3 1 UNL111111111 -0.1095 6 C -6.6922 -0.5369 -0.5871 C.ar 1 UNL111111111 -0.1138 7 C -6.3050 -1.7497 -0.0121 C.ar 1 UNL111111111 -0.0766 8 C -4.9625 -2.0495 0.1627 C.ar 1 UNL111111111 -0.2796 9 C -5.7181 0.3737 -0.9942 C.ar 1 UNL111111111 -0.0938 10 C -4.3667 0.0897 -0.8325 C.ar 1 UNL111111111 -0.2430 11 C -3.9779 -1.1234 -0.2472 C.ar 1 UNL111111111 0.2484 12 N -2.6463 -1.5085 -0.0410 N.pl3 1 UNL111111111 -0.4844 13 C -1.5127 -0.7501 -0.2724 C.ar 1 UNL111111111 0.2818 14 C -0.1847 -1.1683 0.0893 C.ar 1 UNL111111111 -0.3737 15 N -1.4692 0.4729 -0.8873 N.ar 1 UNL111111111 -0.3297 16 N -0.1560 0.8330 -0.9079 N.ar 1 UNL111111111 -0.1984 17 C 0.6535 -0.1330 -0.3365 C.ar 1 UNL111111111 0.1029 18 C 2.0949 0.0005 -0.2413 C.ar 1 UNL111111111 -0.0451 19 C 2.6765 1.2106 0.1481 C.ar 1 UNL111111111 -0.1423 20 C 4.0602 1.3199 0.2338 C.ar 1 UNL111111111 -0.1633 21 C 2.9036 -1.1038 -0.5297 C.ar 1 UNL111111111 -0.1210 22 C 4.2863 -0.9944 -0.4392 C.ar 1 UNL111111111 -0.1423 23 C 4.8717 0.2195 -0.0624 C.ar 1 UNL111111111 0.0522 24 C 6.3260 0.3387 0.0210 C.ar 1 UNL111111111 -0.2009 25 C 7.0018 1.3767 -0.6289 C.ar 1 UNL111111111 -0.0164 26 C 8.3837 1.4943 -0.5563 C.ar 1 UNL111111111 -0.3150 27 C 9.0982 0.5497 0.1914 C.ar 1 UNL111111111 0.3669 28 O 10.4398 0.7266 0.2179 O.3 1 UNL111111111 -0.4643 29 C 8.4749 -0.5037 0.8630 C.ar 1 UNL111111111 -0.4693 30 C 7.0849 -0.5877 0.7559 C.ar 1 UNL111111111 0.3582 31 O 6.3843 -1.5775 1.3572 O.3 1 UNL111111111 -0.4541 32 H -10.1707 3.1256 0.1302 H 1 UNL111111111 0.1575 33 H -8.5522 2.7680 0.7697 H 1 UNL111111111 0.1606 34 H -9.6106 1.4746 2.7401 H 1 UNL111111111 0.1607 35 H -11.2322 1.8196 2.1025 H 1 UNL111111111 0.1578 36 H -10.6751 0.5955 -0.0985 H 1 UNL111111111 0.1598 37 H -8.1049 0.1207 1.3065 H 1 UNL111111111 0.2665 38 H -8.6779 -1.0633 -1.2630 H 1 UNL111111111 0.1519 39 H -8.2979 0.6733 -1.3926 H 1 UNL111111111 0.1311 40 H -7.0694 -2.4602 0.3076 H 1 UNL111111111 0.1591 41 H -6.0111 1.3218 -1.4452 H 1 UNL111111111 0.1497 42 H -4.6752 -2.9942 0.6139 H 1 UNL111111111 0.1551 43 H -3.6277 0.8197 -1.1660 H 1 UNL111111111 0.1965 44 H -2.4875 -2.3933 0.4323 H 1 UNL111111111 0.3181 45 H 0.0926 -2.0657 0.5875 H 1 UNL111111111 0.1804 46 H 0.0932 1.6895 -1.3553 H 1 UNL111111111 0.3313 47 H 2.0487 2.0622 0.4040 H 1 UNL111111111 0.1533 48 H 2.4468 -2.0481 -0.8262 H 1 UNL111111111 0.1622 49 H 4.5139 2.2583 0.5478 H 1 UNL111111111 0.1580 50 H 4.9192 -1.8549 -0.6555 H 1 UNL111111111 0.1645 51 H 6.4277 2.1027 -1.2103 H 1 UNL111111111 0.1598 52 H 8.9143 2.2952 -1.0629 H 1 UNL111111111 0.1824 53 H 10.9040 0.0367 0.7525 H 1 UNL111111111 0.3303 54 H 9.0405 -1.2231 1.4364 H 1 UNL111111111 0.1713 55 H 6.9586 -2.1630 1.9118 H 1 UNL111111111 0.3291 @BOND 1 1 2 1 2 1 3 1 3 1 32 1 4 1 33 1 5 2 3 1 6 2 34 1 7 2 35 1 8 3 4 1 9 3 36 1 10 4 5 1 11 4 37 1 12 5 6 1 13 5 38 1 14 5 39 1 15 6 7 ar 16 6 9 ar 17 7 8 ar 18 7 40 1 19 8 11 ar 20 8 42 1 21 9 10 ar 22 9 41 1 23 10 11 ar 24 10 43 1 25 11 12 1 26 12 13 1 27 12 44 1 28 13 14 ar 29 13 15 ar 30 14 17 ar 31 14 45 1 32 15 16 ar 33 16 17 ar 34 16 46 1 35 17 18 1 36 18 19 ar 37 18 21 ar 38 19 20 ar 39 19 47 1 40 20 23 ar 41 20 49 1 42 21 22 ar 43 21 48 1 44 22 23 ar 45 22 50 1 46 23 24 1 47 24 25 ar 48 24 30 ar 49 25 26 ar 50 25 51 1 51 26 27 ar 52 26 52 1 53 27 28 1 54 27 29 ar 55 28 53 1 56 29 30 ar 57 29 54 1 58 30 31 1 59 31 55 1