@MOLECULE 4-{(2r)-2-hydroxy-4-[4-(2-methyl-2-propanyl)phenyl]butoxy}benzoic acid 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0159 -3.3277 -0.5396 O.3 1 UNL1111111111 -0.5431 2 O 2.6626 -1.6593 0.0289 O.3 1 UNL1111111111 -0.3297 3 O 7.8801 1.5215 1.0795 O.3 1 UNL1111111111 -0.5633 4 O 7.4382 2.4941 -0.8728 O.2 1 UNL1111111111 -0.5180 5 C -6.7943 1.3844 -0.1833 C.3 1 UNL1111111111 0.1107 6 C -5.5339 0.5878 0.0870 C.ar 1 UNL1111111111 -0.0174 7 C -1.8906 -1.5686 0.8897 C.3 1 UNL1111111111 -0.2766 8 C -0.7871 -1.0823 -0.0621 C.3 1 UNL1111111111 -0.3266 9 C -7.4214 1.7988 1.1612 C.3 1 UNL1111111111 -0.4578 10 C -7.8453 0.5879 -0.9751 C.3 1 UNL1111111111 -0.4615 11 C -6.4211 2.6365 -0.9996 C.3 1 UNL1111111111 -0.4583 12 C -3.1603 -0.8221 0.6228 C.ar 1 UNL1111111111 -0.0026 13 C -4.4964 1.1805 0.8189 C.ar 1 UNL1111111111 -0.1647 14 C -5.3631 -0.7200 -0.3691 C.ar 1 UNL1111111111 -0.1655 15 C 0.3833 -2.0689 -0.0557 C.3 1 UNL1111111111 0.1393 16 C -3.3216 0.4863 1.0849 C.ar 1 UNL1111111111 -0.1713 17 C -4.1896 -1.4206 -0.1023 C.ar 1 UNL1111111111 -0.1735 18 C 1.5726 -1.5495 -0.8905 C.3 1 UNL1111111111 -0.1129 19 C 3.7136 -0.8213 -0.0962 C.ar 1 UNL1111111111 0.3117 20 C 3.9586 0.0348 -1.1749 C.ar 1 UNL1111111111 -0.3394 21 C 4.5882 -0.8954 1.0054 C.ar 1 UNL1111111111 -0.2897 22 C 5.0926 0.8399 -1.1369 C.ar 1 UNL1111111111 0.0067 23 C 5.7095 -0.0851 1.0246 C.ar 1 UNL1111111111 0.0043 24 C 5.9609 0.7887 -0.0438 C.ar 1 UNL1111111111 -0.2379 25 C 7.1196 1.6807 -0.0397 C.2 1 UNL1111111111 0.6578 26 H -1.5733 -1.4418 1.9449 H 1 UNL1111111111 0.1523 27 H -2.0376 -2.6642 0.7678 H 1 UNL1111111111 0.1638 28 H -1.1948 -0.9683 -1.0852 H 1 UNL1111111111 0.1501 29 H -0.4498 -0.0724 0.2397 H 1 UNL1111111111 0.1556 30 H -7.6669 0.9188 1.7660 H 1 UNL1111111111 0.1500 31 H -8.3442 2.3679 1.0088 H 1 UNL1111111111 0.1472 32 H -6.7449 2.4247 1.7521 H 1 UNL1111111111 0.1456 33 H -8.1454 -0.3213 -0.4427 H 1 UNL1111111111 0.1480 34 H -7.4716 0.3001 -1.9635 H 1 UNL1111111111 0.1466 35 H -8.7513 1.1838 -1.1330 H 1 UNL1111111111 0.1483 36 H -7.3106 3.2179 -1.2625 H 1 UNL1111111111 0.1475 37 H -5.7488 3.2978 -0.4446 H 1 UNL1111111111 0.1456 38 H -5.9152 2.3602 -1.9316 H 1 UNL1111111111 0.1484 39 H 0.7201 -2.3143 0.9833 H 1 UNL1111111111 0.1703 40 H -4.6078 2.1995 1.1873 H 1 UNL1111111111 0.1512 41 H -6.1461 -1.2166 -0.9393 H 1 UNL1111111111 0.1549 42 H -2.5272 0.9640 1.6538 H 1 UNL1111111111 0.1516 43 H -4.0800 -2.4421 -0.4614 H 1 UNL1111111111 0.1514 44 H 1.7925 -2.2098 -1.7486 H 1 UNL1111111111 0.1517 45 H 1.4394 -0.5118 -1.2292 H 1 UNL1111111111 0.1373 46 H -0.5334 -3.2520 -1.3647 H 1 UNL1111111111 0.3127 47 H 3.2965 0.0751 -2.0329 H 1 UNL1111111111 0.1688 48 H 4.3695 -1.5835 1.8179 H 1 UNL1111111111 0.1796 49 H 5.3137 1.5166 -1.9705 H 1 UNL1111111111 0.1713 50 H 6.4010 -0.1211 1.8720 H 1 UNL1111111111 0.1740 51 H 8.6594 2.1285 1.1043 H 1 UNL1111111111 0.3554 @BOND 1 1 15 1 2 1 46 1 3 2 18 1 4 2 19 1 5 3 25 1 6 3 51 1 7 4 25 2 8 5 6 1 9 5 9 1 10 5 10 1 11 5 11 1 12 6 13 ar 13 6 14 ar 14 7 8 1 15 7 12 1 16 7 26 1 17 7 27 1 18 8 15 1 19 8 28 1 20 8 29 1 21 9 30 1 22 9 31 1 23 9 32 1 24 10 33 1 25 10 34 1 26 10 35 1 27 11 36 1 28 11 37 1 29 11 38 1 30 12 16 ar 31 12 17 ar 32 13 16 ar 33 13 40 1 34 14 17 ar 35 14 41 1 36 15 18 1 37 15 39 1 38 16 42 1 39 17 43 1 40 18 44 1 41 18 45 1 42 19 20 ar 43 19 21 ar 44 20 22 ar 45 20 47 1 46 21 23 ar 47 21 48 1 48 22 24 ar 49 22 49 1 50 23 24 ar 51 23 50 1 52 24 25 1