@MOLECULE n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9071 2.2549 -0.4146 O.2 1 UNL1111111111 -0.4992 2 O 3.5898 -1.0351 -0.8434 O.2 1 UNL1111111111 -0.5027 3 F 8.5649 -3.4053 1.4969 F 1 UNL1111111111 -0.1931 4 F 9.1953 -1.4221 1.8513 F 1 UNL1111111111 -0.2013 5 F 10.2483 -2.6345 0.4937 F 1 UNL1111111111 -0.1982 6 C 7.6116 -1.4168 -2.5386 C.ar 1 UNL1111111111 -0.1687 7 C -0.5287 5.8697 0.7771 C.ar 1 UNL1111111111 -0.1796 8 C 0.8334 5.8972 0.4112 C.ar 1 UNL1111111111 -0.1189 9 C 6.3461 -0.9514 -2.1909 C.ar 1 UNL1111111111 -0.0651 10 C 8.4927 -1.8579 -1.5511 C.ar 1 UNL1111111111 -0.0633 11 C -7.6350 0.0798 -0.3862 C.ar 1 UNL1111111111 -0.2246 12 C -8.8113 -0.6423 -0.2004 C.ar 1 UNL1111111111 -0.1350 13 C -1.2523 4.6910 0.7788 C.ar 1 UNL1111111111 -0.1128 14 C 1.5042 4.7474 0.0362 C.ar 1 UNL1111111111 -0.2064 15 C -6.3182 -1.9541 -0.0976 C.ar 1 UNL1111111111 -0.3089 16 C 6.8361 -1.3612 0.1471 C.ar 1 UNL1111111111 -0.0673 17 C 0.0746 1.3998 -0.1386 C.ar 1 UNL1111111111 0.0383 18 C 3.2221 1.2520 0.5988 C.3 1 UNL1111111111 -0.0744 19 C -9.7954 -4.0840 0.0531 C.3 1 UNL1111111111 -0.0989 20 C -8.5754 -4.5978 0.8114 C.3 1 UNL1111111111 -0.0949 21 C 2.4977 1.8183 -0.6581 C.3 1 UNL1111111111 -0.1151 22 C -3.5713 1.9392 -0.7780 C.3 1 UNL1111111111 -0.4448 23 N 4.5304 0.7198 0.2249 N.am 1 UNL1111111111 -0.5985 24 N -5.1654 0.0961 -0.5590 N.am 1 UNL1111111111 -0.5612 25 O -9.9238 -2.6752 0.2343 O.3 1 UNL1111111111 -0.2978 26 O -7.3842 -4.0033 0.2945 O.3 1 UNL1111111111 -0.3069 27 S -2.5735 1.4964 0.7022 S.3 1 UNL1111111111 0.0970 28 C -4.9897 1.4798 -0.5504 C.2 1 UNL1111111111 0.6112 29 C 4.5981 -0.4523 -0.5040 C.2 1 UNL1111111111 0.5768 30 C -6.3933 -0.5688 -0.3421 C.ar 1 UNL1111111111 0.2290 31 C 5.9700 -0.9176 -0.8478 C.ar 1 UNL1111111111 -0.1464 32 C 8.1005 -1.8298 -0.2139 C.ar 1 UNL1111111111 -0.1451 33 C -8.7426 -2.0113 0.0317 C.ar 1 UNL1111111111 0.0552 34 C -7.4998 -2.6587 0.0901 C.ar 1 UNL1111111111 0.1671 35 C -1.0231 2.1367 0.2929 C.ar 1 UNL1111111111 -0.2747 36 C -0.6067 3.5072 0.4074 C.ar 1 UNL1111111111 -0.0348 37 C 0.7758 3.5523 0.0362 C.ar 1 UNL1111111111 0.0779 38 N 1.1600 2.2489 -0.3042 N.ar 1 UNL1111111111 -0.2863 39 C 9.0135 -2.3141 0.8758 C.3 1 UNL1111111111 0.5465 40 H 7.9131 -1.4441 -3.5859 H 1 UNL1111111111 0.1663 41 H -1.0113 6.8030 1.0645 H 1 UNL1111111111 0.1575 42 H 1.3610 6.8502 0.4273 H 1 UNL1111111111 0.1519 43 H 5.6463 -0.6241 -2.9632 H 1 UNL1111111111 0.1676 44 H 9.4784 -2.2251 -1.8465 H 1 UNL1111111111 0.1716 45 H -7.6964 1.1559 -0.5675 H 1 UNL1111111111 0.2038 46 H -9.7804 -0.1460 -0.2376 H 1 UNL1111111111 0.1726 47 H -2.3030 4.6742 1.0679 H 1 UNL1111111111 0.1707 48 H 2.5499 4.7689 -0.2474 H 1 UNL1111111111 0.1541 49 H -5.3673 -2.4755 -0.0448 H 1 UNL1111111111 0.1764 50 H 6.5178 -1.3522 1.1933 H 1 UNL1111111111 0.1762 51 H 0.1575 0.3417 -0.3385 H 1 UNL1111111111 0.1820 52 H 3.3409 2.0427 1.3707 H 1 UNL1111111111 0.1525 53 H 2.5984 0.4412 1.0503 H 1 UNL1111111111 0.1696 54 H -9.7290 -4.2920 -1.0303 H 1 UNL1111111111 0.1451 55 H -10.7487 -4.4705 0.4537 H 1 UNL1111111111 0.1536 56 H -8.6306 -4.3662 1.8910 H 1 UNL1111111111 0.1478 57 H -8.3928 -5.6765 0.6641 H 1 UNL1111111111 0.1531 58 H 3.0723 2.6642 -1.0955 H 1 UNL1111111111 0.1586 59 H 2.4419 1.0250 -1.4466 H 1 UNL1111111111 0.1820 60 H -3.5603 3.0400 -0.9273 H 1 UNL1111111111 0.1955 61 H -3.1357 1.5027 -1.6939 H 1 UNL1111111111 0.1784 62 H 5.3483 1.2441 0.4792 H 1 UNL1111111111 0.3184 63 H -4.3434 -0.5021 -0.6149 H 1 UNL1111111111 0.3207 @BOND 1 1 28 2 2 2 29 2 3 5 39 1 4 6 9 ar 5 6 10 ar 6 6 40 1 7 7 8 ar 8 7 41 1 9 8 14 ar 10 8 42 1 11 9 31 ar 12 9 43 1 13 10 32 ar 14 10 44 1 15 11 30 ar 16 11 45 1 17 12 11 ar 18 12 33 ar 19 12 46 1 20 13 7 ar 21 13 36 ar 22 13 47 1 23 14 48 1 24 15 49 1 25 16 50 1 26 17 38 ar 27 17 51 1 28 18 52 1 29 18 53 1 30 19 20 1 31 19 54 1 32 19 55 1 33 20 26 1 34 20 56 1 35 20 57 1 36 21 18 1 37 21 58 1 38 21 59 1 39 22 27 1 40 22 60 1 41 22 61 1 42 23 18 1 43 23 62 1 44 24 63 1 45 25 19 1 46 25 33 1 47 27 35 1 48 28 22 1 49 28 24 am 50 29 23 am 51 30 15 ar 52 30 24 1 53 31 16 ar 54 31 29 1 55 32 16 ar 56 32 39 1 57 33 34 ar 58 34 15 ar 59 34 26 1 60 35 17 ar 61 35 36 ar 62 36 37 ar 63 37 14 ar 64 37 38 ar 65 38 21 1 66 39 3 1 67 39 4 1