@MOLECULE 4-{(2s)-2-hydroxy-3-[4-(2-methyl-2-propanyl)phenoxy]propoxy}benzoic acid 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7433 -2.4266 -0.9142 O.3 1 UNL1111111111 -0.3504 2 O 1.8767 -2.0581 0.5922 O.3 1 UNL1111111111 -0.3527 3 O 1.2248 -4.8441 0.8481 O.3 1 UNL1111111111 -0.5408 4 O 3.1453 4.0432 0.8060 O.3 1 UNL1111111111 -0.5610 5 O 4.3605 3.5784 -1.0037 O.2 1 UNL1111111111 -0.5212 6 C -4.2911 1.8541 0.1474 C.3 1 UNL1111111111 0.1211 7 C -3.4131 0.6520 -0.1383 C.ar 1 UNL1111111111 -0.0714 8 C -5.2089 1.6420 1.3639 C.3 1 UNL1111111111 -0.4637 9 C -3.3901 3.0689 0.4372 C.3 1 UNL1111111111 -0.4597 10 C -5.1706 2.1270 -1.0858 C.3 1 UNL1111111111 -0.4596 11 C -2.4928 0.7128 -1.1984 C.ar 1 UNL1111111111 -0.1050 12 C -3.4780 -0.5104 0.6266 C.ar 1 UNL1111111111 -0.1075 13 C -1.6674 -1.4626 -0.6233 C.ar 1 UNL1111111111 0.2416 14 C -1.6115 -0.3305 -1.4475 C.ar 1 UNL1111111111 -0.2391 15 C -2.6146 -1.5758 0.3889 C.ar 1 UNL1111111111 -0.2875 16 C 0.8484 -4.0121 -0.2213 C.3 1 UNL1111111111 0.1211 17 C -0.5017 -3.3662 0.1329 C.3 1 UNL1111111111 -0.0915 18 C 1.9254 -2.9645 -0.5178 C.3 1 UNL1111111111 -0.0988 19 C 2.3970 -0.8235 0.3884 C.ar 1 UNL1111111111 0.3175 20 C 3.2995 -0.5023 -0.6303 C.ar 1 UNL1111111111 -0.3307 21 C 1.9587 0.1313 1.3217 C.ar 1 UNL1111111111 -0.2853 22 C 3.2371 1.7932 0.1242 C.ar 1 UNL1111111111 -0.2311 23 C 3.7095 0.8192 -0.7616 C.ar 1 UNL1111111111 0.0042 24 C 2.3838 1.4428 1.1782 C.ar 1 UNL1111111111 0.0062 25 C 3.6527 3.1755 -0.1128 C.2 1 UNL1111111111 0.6563 26 H -4.6292 1.4721 2.2776 H 1 UNL1111111111 0.1462 27 H -5.8844 0.7923 1.2198 H 1 UNL1111111111 0.1463 28 H -5.8385 2.5274 1.5391 H 1 UNL1111111111 0.1474 29 H -2.7889 3.3480 -0.4341 H 1 UNL1111111111 0.1469 30 H -3.9870 3.9492 0.7155 H 1 UNL1111111111 0.1448 31 H -2.6972 2.8624 1.2588 H 1 UNL1111111111 0.1500 32 H -5.8743 2.9462 -0.9014 H 1 UNL1111111111 0.1453 33 H -4.5706 2.3996 -1.9595 H 1 UNL1111111111 0.1458 34 H -5.7537 1.2374 -1.3527 H 1 UNL1111111111 0.1496 35 H -2.4619 1.5976 -1.8285 H 1 UNL1111111111 0.1538 36 H -4.2055 -0.6053 1.4311 H 1 UNL1111111111 0.1532 37 H -0.8862 -0.2774 -2.2561 H 1 UNL1111111111 0.1695 38 H -2.6960 -2.4757 0.9889 H 1 UNL1111111111 0.1616 39 H 0.7664 -4.7271 -1.0747 H 1 UNL1111111111 0.1604 40 H -1.3169 -4.1091 0.1360 H 1 UNL1111111111 0.1421 41 H -0.4466 -2.8582 1.1134 H 1 UNL1111111111 0.1466 42 H 2.9351 -3.4113 -0.5391 H 1 UNL1111111111 0.1459 43 H 1.7042 -2.4368 -1.4636 H 1 UNL1111111111 0.1571 44 H 1.4920 -4.3114 1.6286 H 1 UNL1111111111 0.3273 45 H 3.6778 -1.2576 -1.3119 H 1 UNL1111111111 0.1700 46 H 1.2800 -0.1614 2.1182 H 1 UNL1111111111 0.1776 47 H 4.3945 1.1067 -1.5672 H 1 UNL1111111111 0.1721 48 H 2.0431 2.2147 1.8763 H 1 UNL1111111111 0.1739 49 H 3.4263 4.9785 0.6508 H 1 UNL1111111111 0.3554 @BOND 1 1 13 1 2 1 17 1 3 2 18 1 4 2 19 1 5 3 16 1 6 3 44 1 7 4 25 1 8 4 49 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 9 1 13 6 10 1 14 7 11 ar 15 7 12 ar 16 8 26 1 17 8 27 1 18 8 28 1 19 9 29 1 20 9 30 1 21 9 31 1 22 10 32 1 23 10 33 1 24 10 34 1 25 11 14 ar 26 11 35 1 27 12 15 ar 28 12 36 1 29 13 14 ar 30 13 15 ar 31 14 37 1 32 15 38 1 33 16 17 1 34 16 18 1 35 16 39 1 36 17 40 1 37 17 41 1 38 18 42 1 39 18 43 1 40 19 20 ar 41 19 21 ar 42 20 23 ar 43 20 45 1 44 21 24 ar 45 21 46 1 46 22 23 ar 47 22 24 ar 48 22 25 1 49 23 47 1 50 24 48 1