@MOLECULE 7-(4-chlorophenyl)-2-(4-methylphenoxy)heptanoic acid 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.4346 -0.2437 1.3621 Cl 1 UNL1111111111 -0.0997 2 O 1.6006 1.6638 -0.8447 O.3 1 UNL1111111111 -0.3343 3 O 1.5794 1.5676 2.3479 O.3 1 UNL1111111111 -0.5761 4 O 3.3663 2.5737 1.4765 O.2 1 UNL1111111111 -0.4770 5 C 3.2559 -0.5126 -1.6679 C.3 1 UNL1111111111 -0.2560 6 C 2.2088 -1.6243 -1.5352 C.3 1 UNL1111111111 -0.2766 7 C 3.4767 0.3093 -0.3924 C.3 1 UNL1111111111 -0.2904 8 C 2.5204 -2.6135 -0.4070 C.3 1 UNL1111111111 -0.2539 9 C 1.3183 -3.5309 -0.1249 C.3 1 UNL1111111111 -0.2922 10 C 2.1644 0.8534 0.1787 C.3 1 UNL1111111111 0.0437 11 C 0.1127 -2.7285 0.2615 C.ar 1 UNL1111111111 0.0228 12 C 2.4790 1.7783 1.3492 C.2 1 UNL1111111111 0.5946 13 C -0.9981 -2.6826 -0.5846 C.ar 1 UNL1111111111 -0.1688 14 C 0.1112 -2.0048 1.4582 C.ar 1 UNL1111111111 -0.1683 15 C 0.2245 1.5901 -0.9191 C.ar 1 UNL1111111111 0.1687 16 C -2.1091 -1.9132 -0.2449 C.ar 1 UNL1111111111 -0.1550 17 C -0.9885 -1.2255 1.8079 C.ar 1 UNL1111111111 -0.1484 18 C -0.5842 2.1260 0.0803 C.ar 1 UNL1111111111 -0.2016 19 C -0.3012 1.0479 -2.0916 C.ar 1 UNL1111111111 -0.1954 20 C -2.0763 -1.1998 0.9452 C.ar 1 UNL1111111111 0.0149 21 C -2.5160 1.5746 -1.2699 C.ar 1 UNL1111111111 0.0239 22 C -1.9626 2.1232 -0.1094 C.ar 1 UNL1111111111 -0.1413 23 C -1.6820 1.0433 -2.2591 C.ar 1 UNL1111111111 -0.1616 24 C -3.9942 1.5497 -1.4621 C.3 1 UNL1111111111 -0.4498 25 H 2.9428 0.1737 -2.4842 H 1 UNL1111111111 0.1514 26 H 4.2226 -0.9451 -1.9901 H 1 UNL1111111111 0.1352 27 H 2.1284 -2.1689 -2.4955 H 1 UNL1111111111 0.1339 28 H 1.2083 -1.1697 -1.3783 H 1 UNL1111111111 0.1523 29 H 3.9954 -0.2943 0.3765 H 1 UNL1111111111 0.1478 30 H 4.1586 1.1584 -0.6231 H 1 UNL1111111111 0.1704 31 H 3.4038 -3.2234 -0.6708 H 1 UNL1111111111 0.1344 32 H 2.7952 -2.0717 0.5176 H 1 UNL1111111111 0.1405 33 H 1.4663 0.0384 0.4877 H 1 UNL1111111111 0.1708 34 H 1.5739 -4.2467 0.6833 H 1 UNL1111111111 0.1503 35 H 1.1132 -4.1598 -1.0139 H 1 UNL1111111111 0.1473 36 H -0.9997 -3.2451 -1.5164 H 1 UNL1111111111 0.1583 37 H 0.9738 -2.0489 2.1218 H 1 UNL1111111111 0.1617 38 H -2.9739 -1.8704 -0.9057 H 1 UNL1111111111 0.1687 39 H -0.9856 -0.6484 2.7330 H 1 UNL1111111111 0.1761 40 H -0.1462 2.5391 0.9863 H 1 UNL1111111111 0.1740 41 H 0.3629 0.6468 -2.8525 H 1 UNL1111111111 0.1652 42 H -2.6112 2.5488 0.6554 H 1 UNL1111111111 0.1591 43 H -2.1152 0.6240 -3.1643 H 1 UNL1111111111 0.1528 44 H 1.7174 2.1377 3.1420 H 1 UNL1111111111 0.3547 45 H -4.5420 1.9401 -0.5933 H 1 UNL1111111111 0.1582 46 H -4.3605 0.5269 -1.6325 H 1 UNL1111111111 0.1575 47 H -4.2943 2.1544 -2.3302 H 1 UNL1111111111 0.1571 @BOND 1 1 20 1 2 2 10 1 3 2 15 1 4 3 12 1 5 3 44 1 6 4 12 2 7 5 6 1 8 5 7 1 9 5 25 1 10 5 26 1 11 6 8 1 12 6 27 1 13 6 28 1 14 7 10 1 15 7 29 1 16 7 30 1 17 8 9 1 18 8 31 1 19 8 32 1 20 9 11 1 21 9 34 1 22 9 35 1 23 10 12 1 24 10 33 1 25 11 13 ar 26 11 14 ar 27 13 16 ar 28 13 36 1 29 14 17 ar 30 14 37 1 31 15 18 ar 32 15 19 ar 33 16 20 ar 34 16 38 1 35 17 20 ar 36 17 39 1 37 18 22 ar 38 18 40 1 39 19 23 ar 40 19 41 1 41 21 22 ar 42 21 23 ar 43 21 24 1 44 22 42 1 45 23 43 1 46 24 45 1 47 24 46 1 48 24 47 1