@MOLECULE [1-(1,3-benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetic acid 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7697 4.1951 0.0604 O.3 1 UNL1111111111 -0.3169 2 O 0.7605 -3.0790 0.4494 O.2 1 UNL1111111111 -0.4474 3 O 5.1807 0.1499 1.2387 O.3 1 UNL1111111111 -0.3287 4 O 5.5721 0.6637 -1.0297 O.3 1 UNL1111111111 -0.3363 5 O -5.3843 -0.2956 -1.0826 O.3 1 UNL1111111111 -0.5630 6 O -4.6842 -2.4094 -1.0013 O.2 1 UNL1111111111 -0.5157 7 N -0.3917 -1.1358 0.3881 N.ar 1 UNL1111111111 -0.3963 8 C -2.6306 -0.7099 0.5948 C.ar 1 UNL1111111111 -0.1976 9 C -1.9541 0.5524 0.4143 C.ar 1 UNL1111111111 0.0364 10 C -0.5583 0.2748 0.3029 C.ar 1 UNL1111111111 0.0399 11 C -1.6798 -1.7119 0.5667 C.ar 1 UNL1111111111 0.2425 12 C -4.0849 -0.8651 0.7921 C.3 1 UNL1111111111 -0.3012 13 C 0.7935 -1.8868 0.2591 C.2 1 UNL1111111111 0.5980 14 C -2.4290 1.8592 0.3390 C.ar 1 UNL1111111111 -0.2908 15 C 0.3680 1.3101 0.1611 C.ar 1 UNL1111111111 -0.1203 16 C -1.8839 -3.1647 0.6660 C.3 1 UNL1111111111 -0.4593 17 C 2.0384 -1.1755 -0.1249 C.ar 1 UNL1111111111 -0.1374 18 C -1.4898 2.8676 0.1676 C.ar 1 UNL1111111111 0.2402 19 C -0.1029 2.6089 0.0899 C.ar 1 UNL1111111111 -0.2316 20 C 2.9705 -0.8810 0.8905 C.ar 1 UNL1111111111 -0.1504 21 C 2.2652 -0.8831 -1.4649 C.ar 1 UNL1111111111 -0.0966 22 C 4.1206 -0.2602 0.4712 C.ar 1 UNL1111111111 0.1196 23 C -4.7104 -1.3191 -0.4954 C.2 1 UNL1111111111 0.6577 24 C 4.3564 0.0496 -0.8924 C.ar 1 UNL1111111111 0.1557 25 C 3.4514 -0.2513 -1.8819 C.ar 1 UNL1111111111 -0.1953 26 C 6.1188 0.7380 0.3086 C.3 1 UNL1111111111 0.1553 27 C -3.1399 4.5691 0.0931 C.3 1 UNL1111111111 -0.2022 28 H -4.5423 0.0924 1.1378 H 1 UNL1111111111 0.1870 29 H -4.3092 -1.6067 1.5924 H 1 UNL1111111111 0.1816 30 H -3.4925 2.0562 0.4032 H 1 UNL1111111111 0.1729 31 H 1.4381 1.1223 0.1105 H 1 UNL1111111111 0.1699 32 H -2.9543 -3.4307 0.6769 H 1 UNL1111111111 0.1785 33 H -1.4392 -3.7079 -0.1897 H 1 UNL1111111111 0.1905 34 H -1.4123 -3.5917 1.5676 H 1 UNL1111111111 0.1831 35 H 0.5821 3.4464 -0.0266 H 1 UNL1111111111 0.1738 36 H 2.7859 -1.1330 1.9329 H 1 UNL1111111111 0.1876 37 H 1.5135 -1.1391 -2.2154 H 1 UNL1111111111 0.1737 38 H 3.6330 -0.0180 -2.9267 H 1 UNL1111111111 0.1809 39 H 7.0369 0.1344 0.3294 H 1 UNL1111111111 0.1443 40 H 6.2287 1.8004 0.5669 H 1 UNL1111111111 0.1444 41 H -3.5899 4.3161 1.0580 H 1 UNL1111111111 0.1337 42 H -3.6906 4.1138 -0.7366 H 1 UNL1111111111 0.1373 43 H -3.0863 5.6587 -0.0330 H 1 UNL1111111111 0.1505 44 H -5.7817 -0.5306 -1.9556 H 1 UNL1111111111 0.3519 @BOND 1 1 18 1 2 1 27 1 3 2 13 2 4 3 22 1 5 3 26 1 6 4 24 1 7 4 26 1 8 5 23 1 9 5 44 1 10 6 23 2 11 7 10 ar 12 7 11 ar 13 7 13 am 14 8 9 ar 15 8 11 ar 16 8 12 1 17 9 10 ar 18 9 14 ar 19 10 15 ar 20 11 16 1 21 12 23 1 22 12 28 1 23 12 29 1 24 13 17 1 25 14 18 ar 26 14 30 1 27 15 19 ar 28 15 31 1 29 16 32 1 30 16 33 1 31 16 34 1 32 17 20 ar 33 17 21 ar 34 18 19 ar 35 19 35 1 36 20 22 ar 37 20 36 1 38 21 25 ar 39 21 37 1 40 22 24 ar 41 24 25 ar 42 25 38 1 43 26 39 1 44 26 40 1 45 27 41 1 46 27 42 1 47 27 43 1