@MOLECULE 7-[(1r,2s)-2-{4-[(1s)-1-hydroxyhexyl]phenyl}-5-oxocyclopentyl]heptanoic acid 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6516 -3.9440 1.6827 O.2 1 UNL1111111111 -0.4603 2 O 5.6811 0.9376 -2.3383 O.3 1 UNL1111111111 -0.5602 3 O -8.5681 2.6715 0.2354 O.3 1 UNL1111111111 -0.5759 4 O -7.6552 2.1242 -1.7194 O.2 1 UNL1111111111 -0.5074 5 C -0.1161 -2.4892 0.4989 C.3 1 UNL1111111111 -0.2257 6 C 1.1120 -2.9316 -0.3358 C.3 1 UNL1111111111 -0.1260 7 C 1.6983 -4.1531 0.4153 C.3 1 UNL1111111111 -0.2666 8 C -1.1954 -1.8518 -0.3756 C.3 1 UNL1111111111 -0.2654 9 C 0.5066 -4.8213 1.1096 C.3 1 UNL1111111111 -0.3895 10 C -0.5803 -3.7707 1.1708 C.2 1 UNL1111111111 0.4831 11 C 2.1188 -1.8396 -0.5248 C.ar 1 UNL1111111111 -0.0043 12 C -2.2687 -1.1625 0.4756 C.3 1 UNL1111111111 -0.2787 13 C -3.3345 -0.5237 -0.4222 C.3 1 UNL1111111111 -0.2670 14 C 2.7182 -1.2066 0.5664 C.ar 1 UNL1111111111 -0.1707 15 C 2.4639 -1.4516 -1.8218 C.ar 1 UNL1111111111 -0.1778 16 C -4.4234 0.1447 0.4270 C.3 1 UNL1111111111 -0.2702 17 C 3.9877 0.1938 -0.9337 C.ar 1 UNL1111111111 -0.0362 18 C 3.6539 -0.1966 0.3640 C.ar 1 UNL1111111111 -0.1582 19 C 3.3947 -0.4372 -2.0263 C.ar 1 UNL1111111111 -0.1172 20 C 4.9813 1.3016 -1.1539 C.3 1 UNL1111111111 0.1480 21 C -5.4838 0.7863 -0.4738 C.3 1 UNL1111111111 -0.2571 22 C 4.2869 2.6566 -1.3845 C.3 1 UNL1111111111 -0.3284 23 C 3.4373 3.0912 -0.1877 C.3 1 UNL1111111111 -0.2713 24 C -6.5823 1.4420 0.3673 C.3 1 UNL1111111111 -0.3478 25 C 4.2960 3.4614 1.0275 C.3 1 UNL1111111111 -0.2699 26 C 3.4063 3.8231 2.2247 C.3 1 UNL1111111111 -0.2490 27 C -7.6007 2.0793 -0.5194 C.2 1 UNL1111111111 0.6468 28 C 4.2543 4.1753 3.4466 C.3 1 UNL1111111111 -0.4412 29 H 0.1934 -1.7685 1.2940 H 1 UNL1111111111 0.1713 30 H 0.7474 -3.2839 -1.3340 H 1 UNL1111111111 0.1503 31 H 2.2124 -4.8353 -0.2799 H 1 UNL1111111111 0.1472 32 H 2.4612 -3.8387 1.1484 H 1 UNL1111111111 0.1486 33 H -1.6641 -2.6146 -1.0268 H 1 UNL1111111111 0.1438 34 H -0.7263 -1.1131 -1.0570 H 1 UNL1111111111 0.1473 35 H 0.1447 -5.7070 0.5550 H 1 UNL1111111111 0.1729 36 H 0.7561 -5.1909 2.1178 H 1 UNL1111111111 0.1713 37 H -1.8085 -0.3974 1.1268 H 1 UNL1111111111 0.1347 38 H -2.7367 -1.9020 1.1585 H 1 UNL1111111111 0.1631 39 H -3.7856 -1.2925 -1.0780 H 1 UNL1111111111 0.1394 40 H -2.8685 0.2180 -1.0975 H 1 UNL1111111111 0.1366 41 H 2.4597 -1.5046 1.5805 H 1 UNL1111111111 0.1522 42 H 2.0090 -1.9418 -2.6804 H 1 UNL1111111111 0.1526 43 H -4.8898 -0.6044 1.0953 H 1 UNL1111111111 0.1419 44 H -3.9717 0.9051 1.0909 H 1 UNL1111111111 0.1362 45 H 4.1207 0.2881 1.2195 H 1 UNL1111111111 0.1518 46 H 3.6721 -0.1381 -3.0387 H 1 UNL1111111111 0.1694 47 H 5.7263 1.3588 -0.3278 H 1 UNL1111111111 0.1223 48 H -5.9247 0.0273 -1.1511 H 1 UNL1111111111 0.1538 49 H -5.0179 1.5359 -1.1444 H 1 UNL1111111111 0.1516 50 H 5.0429 3.4289 -1.6167 H 1 UNL1111111111 0.1418 51 H 3.6487 2.5796 -2.2885 H 1 UNL1111111111 0.1575 52 H 2.8091 3.9561 -0.4772 H 1 UNL1111111111 0.1401 53 H 2.7232 2.2867 0.0808 H 1 UNL1111111111 0.1494 54 H -6.1544 2.2013 1.0582 H 1 UNL1111111111 0.1807 55 H -7.0736 0.6971 1.0308 H 1 UNL1111111111 0.1828 56 H 4.9631 2.6228 1.2993 H 1 UNL1111111111 0.1342 57 H 4.9610 4.3091 0.7799 H 1 UNL1111111111 0.1366 58 H 6.3599 1.6028 -2.5553 H 1 UNL1111111111 0.3134 59 H 2.7315 2.9791 2.4641 H 1 UNL1111111111 0.1357 60 H 2.7470 4.6723 1.9643 H 1 UNL1111111111 0.1336 61 H 4.9012 5.0376 3.2510 H 1 UNL1111111111 0.1416 62 H 4.8983 3.3398 3.7426 H 1 UNL1111111111 0.1428 63 H 3.6253 4.4264 4.3077 H 1 UNL1111111111 0.1402 64 H -9.2744 3.1107 -0.2963 H 1 UNL1111111111 0.3555 @BOND 1 1 10 2 2 2 20 1 3 2 58 1 4 3 27 1 5 3 64 1 6 4 27 2 7 5 6 1 8 5 8 1 9 5 10 1 10 5 29 1 11 6 7 1 12 6 11 1 13 6 30 1 14 7 9 1 15 7 31 1 16 7 32 1 17 8 12 1 18 8 33 1 19 8 34 1 20 9 10 1 21 9 35 1 22 9 36 1 23 11 14 ar 24 11 15 ar 25 12 13 1 26 12 37 1 27 12 38 1 28 13 16 1 29 13 39 1 30 13 40 1 31 14 18 ar 32 14 41 1 33 15 19 ar 34 15 42 1 35 16 21 1 36 16 43 1 37 16 44 1 38 17 18 ar 39 17 19 ar 40 17 20 1 41 18 45 1 42 19 46 1 43 20 22 1 44 20 47 1 45 21 24 1 46 21 48 1 47 21 49 1 48 22 23 1 49 22 50 1 50 22 51 1 51 23 25 1 52 23 52 1 53 23 53 1 54 24 27 1 55 24 54 1 56 24 55 1 57 25 26 1 58 25 56 1 59 25 57 1 60 26 28 1 61 26 59 1 62 26 60 1 63 28 61 1 64 28 62 1 65 28 63 1