@MOLECULE (2s)-3-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetoxy}-2-phenylpropanoic acid 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.5163 2.0639 -1.1065 Cl 1 UNL1111 -0.0804 2 O 3.9341 -1.2011 0.5058 O.3 1 UNL1111 -0.4319 3 O 0.5683 2.3844 3.4817 O.3 1 UNL1111 -0.3157 4 O -2.6021 -3.2847 -0.6486 O.2 1 UNL1111 -0.4456 5 O 3.0592 -2.7557 -0.8705 O.2 1 UNL1111 -0.5155 6 O 5.4168 0.9131 -2.5781 O.3 1 UNL1111 -0.5617 7 O 5.1624 2.8745 -1.5511 O.2 1 UNL1111 -0.4930 8 N -1.2425 -1.8230 0.4137 N.ar 1 UNL1111 -0.3988 9 C 0.9019 -2.0483 1.1769 C.ar 1 UNL1111 -0.1946 10 C 0.3820 -0.7984 1.6779 C.ar 1 UNL1111 0.0409 11 C -0.0811 -2.6446 0.4121 C.ar 1 UNL1111 0.2438 12 C -0.9579 -0.6729 1.2013 C.ar 1 UNL1111 0.0406 13 C 2.2658 -2.5568 1.4216 C.3 1 UNL1111 -0.3032 14 C 0.9567 0.2008 2.4583 C.ar 1 UNL1111 -0.2858 15 C -1.7380 0.4344 1.5361 C.ar 1 UNL1111 -0.1259 16 C -0.0080 -3.8953 -0.3591 C.3 1 UNL1111 -0.4556 17 C -2.4402 -2.1593 -0.2415 C.2 1 UNL1111 0.5909 18 C 0.1693 1.3068 2.7517 C.ar 1 UNL1111 0.2420 19 C -1.1678 1.4278 2.3128 C.ar 1 UNL1111 -0.2306 20 C 3.0934 -2.2255 0.2082 C.2 1 UNL1111 0.6297 21 C 4.1449 0.8807 -0.5867 C.3 1 UNL1111 -0.2204 22 C -3.4510 -1.0900 -0.4380 C.ar 1 UNL1111 -0.1368 23 C 4.6304 -0.5781 -0.5678 C.3 1 UNL1111 -0.0083 24 C 2.6873 1.0453 -0.9264 C.ar 1 UNL1111 -0.0119 25 C -3.2485 -0.1431 -1.4425 C.ar 1 UNL1111 -0.0834 26 C -4.6087 -1.0893 0.3397 C.ar 1 UNL1111 -0.0818 27 C 4.9370 1.6954 -1.5781 C.2 1 UNL1111 0.6357 28 C 1.9893 2.1063 -0.3412 C.ar 1 UNL1111 -0.1534 29 C 2.0305 0.1893 -1.8099 C.ar 1 UNL1111 -0.1464 30 C -4.2067 0.8451 -1.6577 C.ar 1 UNL1111 -0.1748 31 C -5.5713 -0.1027 0.1334 C.ar 1 UNL1111 -0.1797 32 C 1.9305 2.4201 3.8824 C.3 1 UNL1111 -0.2001 33 C -5.3435 0.8442 -0.8580 C.ar 1 UNL1111 0.0500 34 C 0.6460 2.3090 -0.6424 C.ar 1 UNL1111 -0.1325 35 C 0.6845 0.3941 -2.1084 C.ar 1 UNL1111 -0.1455 36 C -0.0073 1.4552 -1.5296 C.ar 1 UNL1111 -0.1441 37 H 2.7016 -2.1090 2.3442 H 1 UNL1111 0.1844 38 H 2.2712 -3.6578 1.5897 H 1 UNL1111 0.1820 39 H 1.9804 0.1037 2.7989 H 1 UNL1111 0.1724 40 H -2.7682 0.5351 1.2037 H 1 UNL1111 0.1672 41 H 1.0281 -4.2666 -0.4398 H 1 UNL1111 0.1807 42 H -0.6273 -4.6926 0.0870 H 1 UNL1111 0.1829 43 H -0.3742 -3.7738 -1.3948 H 1 UNL1111 0.1860 44 H -1.7358 2.3128 2.5925 H 1 UNL1111 0.1745 45 H 4.3297 1.3097 0.4406 H 1 UNL1111 0.1908 46 H 4.4712 -1.1002 -1.5313 H 1 UNL1111 0.1702 47 H 5.6975 -0.6544 -0.2893 H 1 UNL1111 0.1433 48 H -2.3435 -0.1756 -2.0538 H 1 UNL1111 0.1719 49 H -4.7602 -1.8536 1.1045 H 1 UNL1111 0.1713 50 H 2.4945 2.7826 0.3463 H 1 UNL1111 0.1544 51 H 2.5593 -0.6479 -2.2693 H 1 UNL1111 0.1699 52 H -4.0617 1.5957 -2.4351 H 1 UNL1111 0.1781 53 H -6.4785 -0.0835 0.7380 H 1 UNL1111 0.1769 54 H 2.1519 1.6070 4.5802 H 1 UNL1111 0.1327 55 H 2.5964 2.3943 3.0139 H 1 UNL1111 0.1354 56 H 1.9974 3.3919 4.3902 H 1 UNL1111 0.1503 57 H 0.1039 3.1325 -0.1802 H 1 UNL1111 0.1547 58 H 0.1795 -0.2808 -2.7965 H 1 UNL1111 0.1493 59 H -1.0556 1.6232 -1.7649 H 1 UNL1111 0.1458 60 H 5.9112 1.4147 -3.2734 H 1 UNL1111 0.3586 @BOND 1 1 33 1 2 2 20 1 3 2 23 1 4 3 18 1 5 3 32 1 6 4 17 2 7 5 20 2 8 6 27 1 9 6 60 1 10 7 27 2 11 8 11 ar 12 8 12 ar 13 8 17 am 14 9 10 ar 15 9 11 ar 16 9 13 1 17 10 12 ar 18 10 14 ar 19 11 16 1 20 12 15 ar 21 13 20 1 22 13 37 1 23 13 38 1 24 14 18 ar 25 14 39 1 26 15 19 ar 27 15 40 1 28 16 41 1 29 16 42 1 30 16 43 1 31 17 22 1 32 18 19 ar 33 19 44 1 34 21 23 1 35 21 24 1 36 21 27 1 37 21 45 1 38 22 25 ar 39 22 26 ar 40 23 46 1 41 23 47 1 42 24 28 ar 43 24 29 ar 44 25 30 ar 45 25 48 1 46 26 31 ar 47 26 49 1 48 28 34 ar 49 28 50 1 50 29 35 ar 51 29 51 1 52 30 33 ar 53 30 52 1 54 31 33 ar 55 31 53 1 56 32 54 1 57 32 55 1 58 32 56 1 59 34 36 ar 60 34 57 1 61 35 36 ar 62 35 58 1 63 36 59 1