@MOLECULE 8-[(1r,2s)-2-{[(1s,2r)-2-pentylcyclopropyl]methyl}cyclopropyl]octanoic acid 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3795 -1.5233 0.9811 O.3 1 UNL1111111111 -0.5763 2 O -5.6011 0.5923 1.6370 O.2 1 UNL1111111111 -0.5075 3 C 4.0765 0.2012 0.0482 C.3 1 UNL1111111111 -0.1555 4 C 2.8667 -1.5243 1.3002 C.3 1 UNL1111111111 -0.1539 5 C 3.7715 1.6119 0.5242 C.3 1 UNL1111111111 -0.1598 6 C 2.3628 -2.5830 0.3322 C.3 1 UNL1111111111 -0.1601 7 C 4.2259 -0.9076 1.0638 C.3 1 UNL1111111111 -0.2640 8 C 5.1226 1.2862 -0.0757 C.3 1 UNL1111111111 -0.3483 9 C 2.7347 -2.9621 1.7502 C.3 1 UNL1111111111 -0.3475 10 C 2.7717 2.4443 -0.2417 C.3 1 UNL1111111111 -0.2670 11 C 0.9183 -2.5576 -0.1050 C.3 1 UNL1111111111 -0.2636 12 C 1.3739 2.2441 0.3623 C.3 1 UNL1111111111 -0.2682 13 C 0.7621 -1.6110 -1.3044 C.3 1 UNL1111111111 -0.2757 14 C 0.3037 2.9734 -0.4568 C.3 1 UNL1111111111 -0.2714 15 C -0.6859 -1.5885 -1.8046 C.3 1 UNL1111111111 -0.2692 16 C -1.0868 2.8372 0.1790 C.3 1 UNL1111111111 -0.2670 17 C -0.8270 -0.6347 -2.9987 C.3 1 UNL1111111111 -0.2525 18 C -1.6288 1.4090 0.0436 C.3 1 UNL1111111111 -0.2728 19 C -2.2849 -0.5218 -3.4429 C.3 1 UNL1111111111 -0.4424 20 C -3.0258 1.2924 0.6592 C.3 1 UNL1111111111 -0.2598 21 C -3.5336 -0.1495 0.5659 C.3 1 UNL1111111111 -0.3472 22 C -4.9150 -0.2503 1.1238 C.2 1 UNL1111111111 0.6471 23 H 3.5907 -0.1460 -0.8724 H 1 UNL1111111111 0.1577 24 H 2.1445 -0.7980 1.6908 H 1 UNL1111111111 0.1563 25 H 3.7294 1.7926 1.6043 H 1 UNL1111111111 0.1537 26 H 3.0373 -2.9049 -0.4695 H 1 UNL1111111111 0.1530 27 H 4.6447 -0.5318 2.0184 H 1 UNL1111111111 0.1467 28 H 4.9545 -1.6587 0.6993 H 1 UNL1111111111 0.1467 29 H 5.3850 1.6649 -1.0581 H 1 UNL1111111111 0.1561 30 H 6.0002 1.2698 0.5618 H 1 UNL1111111111 0.1554 31 H 1.9596 -3.2291 2.4611 H 1 UNL1111111111 0.1563 32 H 3.6222 -3.5601 1.9281 H 1 UNL1111111111 0.1550 33 H 3.0587 3.5131 -0.2012 H 1 UNL1111111111 0.1422 34 H 2.7669 2.1762 -1.3153 H 1 UNL1111111111 0.1405 35 H 0.2549 -2.2387 0.7209 H 1 UNL1111111111 0.1391 36 H 0.5893 -3.5798 -0.3769 H 1 UNL1111111111 0.1435 37 H 1.1455 1.1614 0.4118 H 1 UNL1111111111 0.1411 38 H 1.3601 2.6013 1.4089 H 1 UNL1111111111 0.1387 39 H 1.0845 -0.5910 -1.0170 H 1 UNL1111111111 0.1416 40 H 1.4409 -1.9198 -2.1211 H 1 UNL1111111111 0.1391 41 H 0.5665 4.0451 -0.5436 H 1 UNL1111111111 0.1350 42 H 0.2871 2.5838 -1.4922 H 1 UNL1111111111 0.1352 43 H -1.0048 -2.6067 -2.0957 H 1 UNL1111111111 0.1379 44 H -1.3646 -1.2819 -0.9877 H 1 UNL1111111111 0.1337 45 H -1.0455 3.1298 1.2451 H 1 UNL1111111111 0.1393 46 H -1.7841 3.5499 -0.3009 H 1 UNL1111111111 0.1335 47 H -0.2019 -0.9911 -3.8394 H 1 UNL1111111111 0.1351 48 H -0.4312 0.3660 -2.7370 H 1 UNL1111111111 0.1346 49 H -1.6568 1.1204 -1.0254 H 1 UNL1111111111 0.1439 50 H -0.9363 0.6954 0.5306 H 1 UNL1111111111 0.1428 51 H -2.7067 -1.5034 -3.6871 H 1 UNL1111111111 0.1443 52 H -2.3801 0.1061 -4.3359 H 1 UNL1111111111 0.1409 53 H -2.9131 -0.0771 -2.6633 H 1 UNL1111111111 0.1401 54 H -3.7306 1.9795 0.1501 H 1 UNL1111111111 0.1511 55 H -3.0131 1.6238 1.7168 H 1 UNL1111111111 0.1535 56 H -3.5260 -0.5060 -0.4884 H 1 UNL1111111111 0.1814 57 H -2.8561 -0.8443 1.1101 H 1 UNL1111111111 0.1823 58 H -6.2920 -1.6560 1.3324 H 1 UNL1111111111 0.3553 @BOND 1 1 22 1 2 1 58 1 3 2 22 2 4 3 5 1 5 3 7 1 6 3 8 1 7 3 23 1 8 4 6 1 9 4 7 1 10 4 9 1 11 4 24 1 12 5 8 1 13 5 10 1 14 5 25 1 15 6 9 1 16 6 11 1 17 6 26 1 18 7 27 1 19 7 28 1 20 8 29 1 21 8 30 1 22 9 31 1 23 9 32 1 24 10 12 1 25 10 33 1 26 10 34 1 27 11 13 1 28 11 35 1 29 11 36 1 30 12 14 1 31 12 37 1 32 12 38 1 33 13 15 1 34 13 39 1 35 13 40 1 36 14 16 1 37 14 41 1 38 14 42 1 39 15 17 1 40 15 43 1 41 15 44 1 42 16 18 1 43 16 45 1 44 16 46 1 45 17 19 1 46 17 47 1 47 17 48 1 48 18 20 1 49 18 49 1 50 18 50 1 51 19 51 1 52 19 52 1 53 19 53 1 54 20 21 1 55 20 54 1 56 20 55 1 57 21 22 1 58 21 56 1 59 21 57 1