@MOLECULE (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2-indanecarboxylic acid 67 71 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3786 3.1947 0.5079 O.3 1 UNL11 -0.5450 2 O -0.7751 2.4004 2.4962 O.2 1 UNL11 -0.5445 3 O 1.9917 -4.4253 0.8902 O.3 1 UNL11 -0.3520 4 O 2.3589 2.5025 1.0168 O.3 1 UNL11 -0.3511 5 O -6.5595 0.1079 0.1400 O.3 1 UNL11 -0.3433 6 O -6.3212 -0.7196 -2.0549 O.3 1 UNL11 -0.3458 7 O 4.0700 2.2487 -3.3785 O.3 1 UNL11 -0.3174 8 O 1.3699 4.6754 2.8023 O.3 1 UNL11 -0.5537 9 C -0.7679 0.9319 0.5475 C.3 1 UNL11 -0.1931 10 C 0.6967 0.4153 0.7338 C.3 1 UNL11 -0.0961 11 C -1.6975 -0.2101 1.0730 C.3 1 UNL11 -0.0891 12 C 0.5319 -1.0744 0.8493 C.ar 1 UNL11 0.0578 13 C -0.8091 -1.4251 1.0560 C.ar 1 UNL11 -0.1081 14 C 1.5722 0.8507 -0.3908 C.ar 1 UNL11 -0.1948 15 C -2.9084 -0.3633 0.2008 C.ar 1 UNL11 -0.0085 16 C -0.9559 2.1976 1.3211 C.2 1 UNL11 0.6504 17 C 1.5323 -2.0288 0.7892 C.ar 1 UNL11 -0.3125 18 C -1.1741 -2.7541 1.2183 C.ar 1 UNL11 -0.0722 19 C 2.4237 1.9657 -0.2233 C.ar 1 UNL11 0.3131 20 C 1.1467 -3.3659 0.9404 C.ar 1 UNL11 0.2655 21 C -4.1675 -0.0000 0.7222 C.ar 1 UNL11 -0.2051 22 C -0.1901 -3.7372 1.1572 C.ar 1 UNL11 -0.2707 23 C -2.7721 -0.8556 -1.0957 C.ar 1 UNL11 -0.1564 24 C 1.5629 0.2052 -1.6214 C.ar 1 UNL11 -0.0148 25 C -5.2388 -0.1622 -0.1211 C.ar 1 UNL11 0.1356 26 C -3.8745 -1.0163 -1.9535 C.ar 1 UNL11 -0.1829 27 C 3.2483 2.4202 -1.2436 C.ar 1 UNL11 -0.4059 28 C 2.3784 0.6297 -2.6700 C.ar 1 UNL11 -0.3686 29 C -5.0964 -0.6608 -1.4369 C.ar 1 UNL11 0.1199 30 C 3.2127 1.7285 -2.4649 C.ar 1 UNL11 0.3180 31 C 3.3750 -4.1487 0.6436 C.3 1 UNL11 -0.0387 32 C -7.2649 -0.2321 -1.0750 C.3 1 UNL11 0.1583 33 C 2.9653 3.7799 1.2310 C.3 1 UNL11 -0.0879 34 C 4.0134 -5.5393 0.6127 C.3 1 UNL11 -0.2736 35 C 2.6378 4.0749 2.7001 C.3 1 UNL11 -0.0064 36 C 4.0714 1.6694 -4.6766 C.3 1 UNL11 -0.2006 37 C 5.5117 -5.4182 0.3540 C.3 1 UNL11 -0.4362 38 H -0.9658 1.1110 -0.5403 H 1 UNL11 0.1963 39 H 1.1045 0.7870 1.7171 H 1 UNL11 0.1896 40 H -1.9956 0.0036 2.1329 H 1 UNL11 0.1737 41 H 2.5623 -1.7339 0.6290 H 1 UNL11 0.1718 42 H -2.2155 -3.0274 1.3833 H 1 UNL11 0.1592 43 H -4.2820 0.3852 1.7305 H 1 UNL11 0.1787 44 H -0.4390 -4.7881 1.2736 H 1 UNL11 0.1701 45 H -1.7822 -1.1345 -1.4609 H 1 UNL11 0.1685 46 H 0.9039 -0.6549 -1.7701 H 1 UNL11 0.1602 47 H -3.7600 -1.4004 -2.9611 H 1 UNL11 0.1714 48 H 3.9079 3.2723 -1.1324 H 1 UNL11 0.1829 49 H 2.3527 0.1067 -3.6170 H 1 UNL11 0.1655 50 H -1.5371 4.0542 0.9712 H 1 UNL11 0.3537 51 H 3.7726 -3.5254 1.4626 H 1 UNL11 0.1305 52 H 3.4754 -3.6232 -0.3219 H 1 UNL11 0.1290 53 H -7.9592 -1.0508 -0.8415 H 1 UNL11 0.1412 54 H -7.7142 0.6892 -1.4710 H 1 UNL11 0.1420 55 H 2.5059 4.5204 0.5524 H 1 UNL11 0.1523 56 H 4.0503 3.7099 1.0513 H 1 UNL11 0.1329 57 H 3.5283 -6.1603 -0.1659 H 1 UNL11 0.1514 58 H 3.8202 -6.0643 1.5692 H 1 UNL11 0.1530 59 H 3.3213 4.8400 3.1150 H 1 UNL11 0.1449 60 H 2.6801 3.1593 3.3193 H 1 UNL11 0.1359 61 H 4.4003 0.6265 -4.6376 H 1 UNL11 0.1345 62 H 3.0879 1.7633 -5.1477 H 1 UNL11 0.1373 63 H 4.8114 2.2865 -5.2046 H 1 UNL11 0.1530 64 H 5.7198 -4.9488 -0.6145 H 1 UNL11 0.1447 65 H 6.0104 -4.8214 1.1268 H 1 UNL11 0.1461 66 H 5.9913 -6.4046 0.3464 H 1 UNL11 0.1470 67 H 0.6585 3.9973 2.7305 H 1 UNL11 0.3389 @BOND 1 1 16 1 2 1 50 1 3 2 16 2 4 3 20 1 5 3 31 1 6 4 19 1 7 4 33 1 8 5 25 1 9 5 32 1 10 6 29 1 11 6 32 1 12 7 30 1 13 7 36 1 14 8 35 1 15 8 67 1 16 9 10 1 17 9 16 1 18 9 38 1 19 10 12 1 20 10 14 1 21 10 39 1 22 11 9 1 23 11 13 1 24 11 15 1 25 11 40 1 26 12 13 ar 27 12 17 ar 28 13 18 ar 29 14 19 ar 30 14 24 ar 31 15 21 ar 32 15 23 ar 33 17 20 ar 34 17 41 1 35 18 22 ar 36 18 42 1 37 19 27 ar 38 20 22 ar 39 21 25 ar 40 21 43 1 41 22 44 1 42 23 26 ar 43 23 45 1 44 24 28 ar 45 24 46 1 46 25 29 ar 47 26 29 ar 48 26 47 1 49 27 30 ar 50 27 48 1 51 28 30 ar 52 28 49 1 53 31 34 1 54 31 51 1 55 31 52 1 56 32 53 1 57 32 54 1 58 33 35 1 59 33 55 1 60 33 56 1 61 34 37 1 62 34 57 1 63 34 58 1 64 35 59 1 65 35 60 1 66 36 61 1 67 36 62 1 68 36 63 1 69 37 64 1 70 37 65 1 71 37 66 1