@MOLECULE 2-(4-tert-butylphenoxy)-7-(4-chlorophenyl)heptanoic acid 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.5848 -0.0099 -0.4454 Cl 1 UNL1111111111 -0.0910 2 O 3.3508 -1.0944 -1.0518 O.3 1 UNL1111111111 -0.3276 3 O 4.8684 -3.4193 1.1580 O.3 1 UNL1111111111 -0.5865 4 O 5.8376 -2.0908 -0.3451 O.2 1 UNL1111111111 -0.4528 5 C 1.6086 4.1200 0.2793 C.3 1 UNL1111111111 0.1122 6 C 1.0941 -2.7847 -0.8003 C.3 1 UNL1111111111 -0.2604 7 C 0.3052 -2.1465 0.3484 C.3 1 UNL1111111111 -0.2720 8 C 2.5113 -3.2179 -0.4037 C.3 1 UNL1111111111 -0.2896 9 C -1.1324 -1.8397 -0.0984 C.3 1 UNL1111111111 -0.2581 10 C 2.1331 2.7399 -0.0558 C.ar 1 UNL1111111111 -0.0439 11 C 3.3819 -2.0290 0.0193 C.3 1 UNL1111111111 0.0422 12 C 2.4023 4.7962 1.4092 C.3 1 UNL1111111111 -0.4645 13 C 1.7006 5.0035 -0.9785 C.3 1 UNL1111111111 -0.4602 14 C 0.1394 3.9931 0.7292 C.3 1 UNL1111111111 -0.4581 15 C -1.9074 -1.1323 1.0253 C.3 1 UNL1111111111 -0.2902 16 C 1.4990 2.0118 -1.0724 C.ar 1 UNL1111111111 -0.1342 17 C 3.2168 2.1749 0.6166 C.ar 1 UNL1111111111 -0.1282 18 C 2.9720 0.1733 -0.6708 C.ar 1 UNL1111111111 0.1974 19 C -3.3260 -0.8678 0.6212 C.ar 1 UNL1111111111 0.0146 20 C 1.9120 0.7252 -1.3922 C.ar 1 UNL1111111111 -0.2083 21 C 3.6449 0.8832 0.3199 C.ar 1 UNL1111111111 -0.2388 22 C 4.8317 -2.4594 0.1884 C.2 1 UNL1111111111 0.5893 23 C -3.6657 0.3410 0.0046 C.ar 1 UNL1111111111 -0.1576 24 C -4.3205 -1.8132 0.8873 C.ar 1 UNL1111111111 -0.1615 25 C -4.9904 0.6133 -0.3333 C.ar 1 UNL1111111111 -0.1622 26 C -5.6489 -1.5550 0.5579 C.ar 1 UNL1111111111 -0.1587 27 C -5.9547 -0.3427 -0.0451 C.ar 1 UNL1111111111 0.0098 28 H 0.5417 -3.6678 -1.1791 H 1 UNL1111111111 0.1392 29 H 1.1535 -2.0769 -1.6524 H 1 UNL1111111111 0.1533 30 H 0.2973 -2.8164 1.2279 H 1 UNL1111111111 0.1367 31 H 0.7986 -1.2110 0.6773 H 1 UNL1111111111 0.1413 32 H 2.4794 -3.9580 0.4234 H 1 UNL1111111111 0.1623 33 H 2.9829 -3.7434 -1.2601 H 1 UNL1111111111 0.1572 34 H -1.6516 -2.7732 -0.3878 H 1 UNL1111111111 0.1399 35 H -1.1239 -1.2048 -1.0042 H 1 UNL1111111111 0.1435 36 H 3.0126 -1.5885 0.9762 H 1 UNL1111111111 0.1633 37 H -1.8763 -1.7482 1.9481 H 1 UNL1111111111 0.1501 38 H -1.3920 -0.1868 1.2907 H 1 UNL1111111111 0.1536 39 H 2.0017 5.7928 1.6268 H 1 UNL1111111111 0.1481 40 H 2.3510 4.2196 2.3399 H 1 UNL1111111111 0.1464 41 H 3.4566 4.9249 1.1404 H 1 UNL1111111111 0.1498 42 H 1.4106 6.0363 -0.7615 H 1 UNL1111111111 0.1467 43 H 2.7236 5.0203 -1.3720 H 1 UNL1111111111 0.1527 44 H 1.0471 4.6424 -1.7787 H 1 UNL1111111111 0.1453 45 H -0.2538 4.9585 1.0647 H 1 UNL1111111111 0.1460 46 H -0.5057 3.6412 -0.0800 H 1 UNL1111111111 0.1457 47 H 0.0422 3.2878 1.5622 H 1 UNL1111111111 0.1487 48 H 0.6633 2.4525 -1.6163 H 1 UNL1111111111 0.1541 49 H 3.7513 2.7333 1.3854 H 1 UNL1111111111 0.1577 50 H 1.4316 0.1548 -2.1827 H 1 UNL1111111111 0.1693 51 H 4.4970 0.4476 0.8348 H 1 UNL1111111111 0.1686 52 H -2.8923 1.0767 -0.2100 H 1 UNL1111111111 0.1611 53 H -4.0583 -2.7581 1.3616 H 1 UNL1111111111 0.1592 54 H -5.2544 1.5569 -0.8087 H 1 UNL1111111111 0.1702 55 H -6.4258 -2.2901 0.7714 H 1 UNL1111111111 0.1712 56 H 5.7697 -3.7705 1.3474 H 1 UNL1111111111 0.3575 @BOND 1 1 27 1 2 2 11 1 3 2 18 1 4 3 22 1 5 3 56 1 6 4 22 2 7 5 10 1 8 5 12 1 9 5 13 1 10 5 14 1 11 6 7 1 12 6 8 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 11 1 19 8 32 1 20 8 33 1 21 9 15 1 22 9 34 1 23 9 35 1 24 10 16 ar 25 10 17 ar 26 11 22 1 27 11 36 1 28 12 39 1 29 12 40 1 30 12 41 1 31 13 42 1 32 13 43 1 33 13 44 1 34 14 45 1 35 14 46 1 36 14 47 1 37 15 19 1 38 15 37 1 39 15 38 1 40 16 20 ar 41 16 48 1 42 17 21 ar 43 17 49 1 44 18 20 ar 45 18 21 ar 46 19 23 ar 47 19 24 ar 48 20 50 1 49 21 51 1 50 23 25 ar 51 23 52 1 52 24 26 ar 53 24 53 1 54 25 27 ar 55 25 54 1 56 26 27 ar 57 26 55 1