@MOLECULE n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.9201 0.8967 -2.4912 F 1 UNL1111 -0.1787 2 C -6.0968 0.3543 -1.2894 C.3 1 UNL1111 0.5809 3 F -6.6964 1.3104 -0.5761 F 1 UNL1111 -0.2015 4 F -7.0496 -0.5635 -1.4704 F 1 UNL1111 -0.2037 5 C -4.8764 -0.1829 -0.6396 C.ar 1 UNL1111 -0.1072 6 N -3.7008 -0.3354 -1.3120 N.ar 1 UNL1111 -0.1934 7 N -2.8251 -0.8552 -0.4259 N.ar 1 UNL1111 -0.0886 8 C -3.3963 -1.0161 0.8299 C.ar 1 UNL1111 0.0564 9 C -4.7317 -0.6061 0.7132 C.ar 1 UNL1111 -0.0775 10 C -5.6821 -0.6445 1.8393 C.3 1 UNL1111 -0.2485 11 C -5.1262 -1.5634 2.9470 C.3 1 UNL1111 -0.2593 12 C -3.6556 -1.2428 3.2573 C.3 1 UNL1111 -0.2544 13 C -2.7409 -1.5302 2.0478 C.3 1 UNL1111 -0.2703 14 C -1.4449 -1.0458 -0.8243 C.3 1 UNL1111 -0.1603 15 C -0.5588 0.0291 -0.1859 C.2 1 UNL1111 0.5456 16 O -0.9568 0.8582 0.5916 O.2 1 UNL1111 -0.4373 17 N 0.7735 -0.0381 -0.5882 N.am 1 UNL1111 -0.5351 18 C 1.7395 0.8615 -0.1788 C.ar 1 UNL1111 0.1474 19 S 1.4104 2.3981 0.6047 S.2 1 UNL1111 0.2873 20 C 3.0994 2.8394 0.5425 C.ar 1 UNL1111 -0.2014 21 C 3.8598 1.8535 -0.0217 C.ar 1 UNL1111 0.0292 22 C 3.1012 0.6902 -0.3940 C.ar 1 UNL1111 -0.3395 23 C 5.3215 2.0235 -0.2525 C.3 1 UNL1111 -0.2698 24 C 5.7153 3.5095 -0.1820 C.3 1 UNL1111 -0.2529 25 C 5.1323 4.1509 1.0830 C.3 1 UNL1111 -0.2579 26 C 3.5929 4.1516 1.0143 C.3 1 UNL1111 -0.2417 27 C 3.6001 -0.5716 -0.9489 C.2 1 UNL1111 0.6389 28 O 2.8779 -1.3131 -1.6145 O.2 1 UNL1111 -0.6200 29 N 4.8983 -0.9450 -0.6912 N.am 1 UNL1111 -0.5802 30 C 5.3990 -2.2518 -1.1300 C.3 1 UNL1111 -0.0625 31 C 5.5016 -3.2143 0.0650 C.3 1 UNL1111 -0.3161 32 C 6.0120 -4.5864 -0.4039 C.3 1 UNL1111 -0.0987 33 N 6.2276 -5.4428 0.7846 N.3 1 UNL1111 -0.6469 34 H -5.8431 0.3815 2.2382 H 1 UNL1111 0.1632 35 H -6.6831 -0.9998 1.5173 H 1 UNL1111 0.1594 36 H -5.7365 -1.4572 3.8621 H 1 UNL1111 0.1398 37 H -5.2214 -2.6198 2.6326 H 1 UNL1111 0.1423 38 H -3.5611 -0.1767 3.5439 H 1 UNL1111 0.1514 39 H -3.3133 -1.8275 4.1298 H 1 UNL1111 0.1373 40 H -2.5502 -2.6206 1.9644 H 1 UNL1111 0.1533 41 H -1.7516 -1.0478 2.2078 H 1 UNL1111 0.1650 42 H -1.1042 -2.0672 -0.5229 H 1 UNL1111 0.1817 43 H -1.3664 -0.9906 -1.9465 H 1 UNL1111 0.2137 44 H 1.1256 -0.7997 -1.2053 H 1 UNL1111 0.3703 45 H 5.8973 1.4578 0.5101 H 1 UNL1111 0.1434 46 H 5.6102 1.6111 -1.2428 H 1 UNL1111 0.1577 47 H 6.8146 3.6136 -0.1985 H 1 UNL1111 0.1339 48 H 5.3416 4.0385 -1.0801 H 1 UNL1111 0.1468 49 H 5.4674 3.5942 1.9789 H 1 UNL1111 0.1413 50 H 5.5084 5.1814 1.2020 H 1 UNL1111 0.1328 51 H 3.2550 4.9604 0.3278 H 1 UNL1111 0.1539 52 H 3.1806 4.4143 2.0111 H 1 UNL1111 0.1489 53 H 5.4706 -0.4382 -0.0363 H 1 UNL1111 0.3123 54 H 4.7214 -2.6711 -1.9132 H 1 UNL1111 0.1718 55 H 6.3953 -2.1051 -1.6059 H 1 UNL1111 0.1386 56 H 6.1819 -2.8117 0.8411 H 1 UNL1111 0.1607 57 H 4.5154 -3.3156 0.5561 H 1 UNL1111 0.1508 58 H 5.3022 -5.0302 -1.1346 H 1 UNL1111 0.1114 59 H 6.9912 -4.4769 -0.9224 H 1 UNL1111 0.1408 60 H 5.3799 -5.5778 1.3095 H 1 UNL1111 0.2471 61 H 6.6022 -6.3423 0.5342 H 1 UNL1111 0.2484 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 5 2 1 5 6 5 ar 6 7 6 ar 7 8 7 ar 8 8 9 ar 9 9 5 ar 10 9 10 1 11 10 34 1 12 10 35 1 13 11 10 1 14 11 36 1 15 11 37 1 16 12 11 1 17 12 38 1 18 12 39 1 19 13 8 1 20 13 12 1 21 13 40 1 22 13 41 1 23 14 7 1 24 14 15 1 25 14 42 1 26 14 43 1 27 15 16 2 28 17 15 am 29 17 18 1 30 17 44 1 31 18 19 ar 32 19 20 ar 33 20 26 1 34 21 20 ar 35 21 23 1 36 22 18 ar 37 22 21 ar 38 23 24 1 39 23 45 1 40 23 46 1 41 24 25 1 42 24 47 1 43 24 48 1 44 25 49 1 45 25 50 1 46 26 25 1 47 26 51 1 48 26 52 1 49 27 22 1 50 28 27 2 51 29 27 am 52 29 53 1 53 30 29 1 54 30 31 1 55 30 54 1 56 30 55 1 57 31 56 1 58 31 57 1 59 32 31 1 60 32 58 1 61 32 59 1 62 33 32 1 63 33 60 1 64 33 61 1