@MOLECULE 1-[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)benzoyl]-d-prolinamide 84 88 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.2519 2.9498 -2.5207 C.3 1 UNL111111111111 -0.2004 2 F 7.3908 2.7718 2.8864 F 1 UNL111111111111 -0.1649 3 N 2.1841 -2.2880 -1.2389 N.pl3 1 UNL111111111111 -0.4888 4 O 5.1990 2.0131 -2.0154 O.3 1 UNL111111111111 -0.3506 5 C 5.7546 2.2747 -0.7899 C.ar 1 UNL111111111111 0.1881 6 F 2.3245 -0.0531 0.6281 F 1 UNL111111111111 -0.1880 7 N -2.3605 -1.5766 -0.5528 N.ar 1 UNL111111111111 -0.1956 8 O 3.7998 -0.2362 -1.5555 O.3 1 UNL111111111111 -0.5876 9 C 5.6049 3.5003 -0.1412 C.ar 1 UNL111111111111 -0.2251 10 F 4.1754 0.7923 1.1253 F 1 UNL111111111111 -0.2102 11 N -1.9221 -0.8557 -1.6448 N.ar 1 UNL111111111111 -0.2090 12 O -7.3659 0.4707 -1.8736 O.2 1 UNL111111111111 -0.5562 13 C 6.1670 3.6876 1.1177 C.ar 1 UNL111111111111 -0.1571 14 F 3.6679 -1.1082 1.8754 F 1 UNL111111111111 -0.2126 15 N -7.1757 1.2883 0.2123 N.am 1 UNL111111111111 -0.4943 16 O -10.1513 2.7720 0.7228 O.2 1 UNL111111111111 -0.5435 17 C 6.8585 2.6210 1.6820 C.ar 1 UNL111111111111 0.1502 18 N -9.8898 1.5491 -1.1519 N.am 1 UNL111111111111 -0.6753 19 C 7.0216 1.3968 1.0361 C.ar 1 UNL111111111111 -0.1792 20 C 6.4843 1.2027 -0.2381 C.ar 1 UNL111111111111 -0.0771 21 C 6.7082 -0.1243 -0.9314 C.3 1 UNL111111111111 0.1262 22 C 6.6247 -0.0468 -2.4628 C.3 1 UNL111111111111 -0.4639 23 C 8.1533 -0.6056 -0.6276 C.3 1 UNL111111111111 -0.4615 24 C 5.7514 -1.2075 -0.3633 C.3 1 UNL111111111111 -0.3662 25 C 4.2338 -1.0223 -0.4997 C.3 1 UNL111111111111 0.2383 26 C 3.5633 -2.4121 -0.7777 C.3 1 UNL111111111111 -0.1014 27 C 1.1136 -2.4901 -0.3752 C.ar 1 UNL111111111111 0.3253 28 C 1.1716 -3.2999 0.7629 C.ar 1 UNL111111111111 -0.3855 29 C 0.0214 -3.5663 1.5280 C.ar 1 UNL111111111111 0.1946 30 C 0.1669 -4.4195 2.7444 C.3 1 UNL111111111111 -0.4631 31 C -1.2271 -3.0607 1.1880 C.ar 1 UNL111111111111 -0.3601 32 C -1.2956 -2.2655 0.0401 C.ar 1 UNL111111111111 0.2042 33 C -0.6070 -1.0496 -1.7623 C.ar 1 UNL111111111111 -0.0218 34 C -0.1387 -1.9427 -0.7323 C.ar 1 UNL111111111111 -0.2779 35 C -3.7494 -1.6971 -0.3254 C.ar 1 UNL111111111111 0.2088 36 C -4.2761 -2.8788 0.2153 C.ar 1 UNL111111111111 -0.2034 37 C -5.6427 -2.9708 0.4621 C.ar 1 UNL111111111111 -0.1077 38 C -6.4894 -1.9055 0.1625 C.ar 1 UNL111111111111 -0.1475 39 C -5.9538 -0.7452 -0.3943 C.ar 1 UNL111111111111 -0.0820 40 C -4.5935 -0.6229 -0.6487 C.ar 1 UNL111111111111 -0.1571 41 C -6.8612 0.3749 -0.7674 C.2 1 UNL111111111111 0.5849 42 C -6.5063 1.3709 1.5222 C.3 1 UNL111111111111 -0.0584 43 C -6.3916 2.8758 1.8305 C.3 1 UNL111111111111 -0.2822 44 C -7.4814 3.5538 0.9824 C.3 1 UNL111111111111 -0.2862 45 C -7.8800 2.5393 -0.1101 C.3 1 UNL111111111111 0.0129 46 C -9.4041 2.2951 -0.1065 C.2 1 UNL111111111111 0.5591 47 C 3.6084 -0.3585 0.7765 C.3 1 UNL111111111111 0.4775 48 H 3.9031 2.4525 -3.4372 H 1 UNL111111111111 0.1564 49 H 3.4209 3.0921 -1.8208 H 1 UNL111111111111 0.1478 50 H 4.7436 3.8962 -2.7658 H 1 UNL111111111111 0.1392 51 H 2.0702 -1.5461 -1.9318 H 1 UNL111111111111 0.3170 52 H 4.3232 0.5922 -1.6858 H 1 UNL111111111111 0.3719 53 H 5.0493 4.3150 -0.6003 H 1 UNL111111111111 0.1713 54 H 6.0574 4.6361 1.6420 H 1 UNL111111111111 0.1770 55 H -10.8631 1.3300 -1.2072 H 1 UNL111111111111 0.3093 56 H -9.2650 1.0848 -1.7926 H 1 UNL111111111111 0.3369 57 H 7.5638 0.5940 1.5388 H 1 UNL111111111111 0.1775 58 H 7.1602 0.8339 -2.8410 H 1 UNL111111111111 0.1593 59 H 7.0739 -0.9288 -2.9348 H 1 UNL111111111111 0.1479 60 H 5.6011 0.0024 -2.8532 H 1 UNL111111111111 0.1655 61 H 8.3038 -0.8579 0.4262 H 1 UNL111111111111 0.1478 62 H 8.4075 -1.4979 -1.2091 H 1 UNL111111111111 0.1486 63 H 8.8799 0.1725 -0.8908 H 1 UNL111111111111 0.1566 64 H 6.0369 -2.1616 -0.8606 H 1 UNL111111111111 0.1654 65 H 6.0071 -1.3618 0.7067 H 1 UNL111111111111 0.1698 66 H 3.6524 -3.0734 0.1092 H 1 UNL111111111111 0.1628 67 H 4.1299 -2.9065 -1.6080 H 1 UNL111111111111 0.1646 68 H 2.1123 -3.7393 1.0757 H 1 UNL111111111111 0.1657 69 H 0.8083 -3.9263 3.4918 H 1 UNL111111111111 0.1671 70 H -0.7924 -4.6343 3.2330 H 1 UNL111111111111 0.1574 71 H 0.6324 -5.3857 2.5022 H 1 UNL111111111111 0.1603 72 H -2.0991 -3.2503 1.7986 H 1 UNL111111111111 0.1705 73 H -0.0262 -0.5759 -2.5343 H 1 UNL111111111111 0.1823 74 H -3.6268 -3.7301 0.4189 H 1 UNL111111111111 0.1736 75 H -6.0538 -3.8885 0.8825 H 1 UNL111111111111 0.1564 76 H -7.5596 -1.9824 0.3489 H 1 UNL111111111111 0.1636 77 H -4.1811 0.2782 -1.1106 H 1 UNL111111111111 0.1938 78 H -7.1358 0.8509 2.2785 H 1 UNL111111111111 0.1459 79 H -5.5162 0.8710 1.5060 H 1 UNL111111111111 0.1491 80 H -6.5311 3.0787 2.9042 H 1 UNL111111111111 0.1484 81 H -5.3906 3.2577 1.5658 H 1 UNL111111111111 0.1473 82 H -8.3572 3.8221 1.6107 H 1 UNL111111111111 0.1827 83 H -7.1267 4.4976 0.5407 H 1 UNL111111111111 0.1464 84 H -7.5769 2.9008 -1.1292 H 1 UNL111111111111 0.1681 @BOND 1 1 4 1 2 1 48 1 3 1 49 1 4 1 50 1 5 2 17 1 6 3 26 1 7 3 27 1 8 3 51 1 9 4 5 1 10 5 9 ar 11 5 20 ar 12 6 47 1 13 7 11 ar 14 7 32 ar 15 7 35 1 16 8 25 1 17 8 52 1 18 9 13 ar 19 9 53 1 20 10 47 1 21 11 33 ar 22 12 41 2 23 13 17 ar 24 13 54 1 25 14 47 1 26 15 41 am 27 15 42 1 28 15 45 1 29 16 46 2 30 17 19 ar 31 18 46 am 32 18 55 1 33 18 56 1 34 19 20 ar 35 19 57 1 36 20 21 1 37 21 22 1 38 21 23 1 39 21 24 1 40 22 58 1 41 22 59 1 42 22 60 1 43 23 61 1 44 23 62 1 45 23 63 1 46 24 25 1 47 24 64 1 48 24 65 1 49 25 26 1 50 25 47 1 51 26 66 1 52 26 67 1 53 27 28 ar 54 27 34 ar 55 28 29 ar 56 28 68 1 57 29 30 1 58 29 31 ar 59 30 69 1 60 30 70 1 61 30 71 1 62 31 32 ar 63 31 72 1 64 32 34 ar 65 33 34 ar 66 33 73 1 67 35 36 ar 68 35 40 ar 69 36 37 ar 70 36 74 1 71 37 38 ar 72 37 75 1 73 38 39 ar 74 38 76 1 75 39 40 ar 76 39 41 1 77 40 77 1 78 42 43 1 79 42 78 1 80 42 79 1 81 43 44 1 82 43 80 1 83 43 81 1 84 44 45 1 85 44 82 1 86 44 83 1 87 45 46 1 88 45 84 1