@MOLECULE methyl (5e)-7-[(1r,2s,3r,5s)-2-(5-cyclohexyl-3-hydroxypentyl)-3,5-dihydroxycyclopentyl]-5-heptenoate 71 72 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5362 3.6496 0.8095 O.3 1 UNL1111111111 -0.5829 2 O 4.3189 3.0724 -0.6153 O.3 1 UNL1111111111 -0.5587 3 O -1.7698 -0.4574 -1.4764 O.3 1 UNL1111111111 -0.5583 4 O 3.4225 -1.4770 2.2039 O.3 1 UNL1111111111 -0.4295 5 O 1.7071 -2.5871 1.2772 O.2 1 UNL1111111111 -0.5034 6 C 1.7172 1.5416 -0.1929 C.3 1 UNL1111111111 -0.1516 7 C 3.1046 0.9531 -0.5380 C.3 1 UNL1111111111 -0.1795 8 C 1.9187 2.3204 1.1323 C.3 1 UNL1111111111 0.1558 9 C 4.1105 1.9100 0.1473 C.3 1 UNL1111111111 0.1706 10 C 3.4187 2.2723 1.4769 C.3 1 UNL1111111111 -0.4145 11 C 0.6575 0.4458 -0.0977 C.3 1 UNL1111111111 -0.2884 12 C 3.3334 0.8216 -2.0449 C.3 1 UNL1111111111 -0.2821 13 C -0.7427 1.0191 0.1349 C.3 1 UNL1111111111 -0.3290 14 C -1.7992 -0.0680 -0.1191 C.3 1 UNL1111111111 0.1645 15 C -5.6677 -0.1853 0.2930 C.3 1 UNL1111111111 -0.0967 16 C -3.2024 0.4300 0.2588 C.3 1 UNL1111111111 -0.3383 17 C -4.2349 -0.6781 0.0291 C.3 1 UNL1111111111 -0.2866 18 C -6.6181 -1.3927 0.4046 C.3 1 UNL1111111111 -0.2797 19 C -6.1459 0.7436 -0.8381 C.3 1 UNL1111111111 -0.2761 20 C 4.4401 -0.1419 -2.3342 C.2 1 UNL1111111111 -0.1555 21 C -8.0532 -0.9216 0.6719 C.3 1 UNL1111111111 -0.2644 22 C -7.5819 1.2161 -0.5764 C.3 1 UNL1111111111 -0.2655 23 C -8.5288 0.0159 -0.4457 C.3 1 UNL1111111111 -0.2627 24 C 4.3357 -1.4731 -2.2709 C.2 1 UNL1111111111 -0.1765 25 C 3.0994 -2.2244 -1.8987 C.3 1 UNL1111111111 -0.2785 26 C 3.4073 -3.3690 -0.9216 C.3 1 UNL1111111111 -0.2472 27 C 3.9722 -2.8529 0.4060 C.3 1 UNL1111111111 -0.3515 28 C 2.8820 -2.3318 1.2887 C.2 1 UNL1111111111 0.6071 29 C 2.5243 -0.9430 3.1696 C.3 1 UNL1111111111 -0.1699 30 H 1.4130 2.2776 -0.9795 H 1 UNL1111111111 0.1670 31 H 3.2101 -0.0509 -0.0607 H 1 UNL1111111111 0.1514 32 H 1.2727 1.9672 1.9567 H 1 UNL1111111111 0.1141 33 H 5.1261 1.4877 0.2519 H 1 UNL1111111111 0.1392 34 H 3.7881 3.2351 1.8631 H 1 UNL1111111111 0.1625 35 H 3.6343 1.5176 2.2487 H 1 UNL1111111111 0.1563 36 H 0.9080 -0.2861 0.6949 H 1 UNL1111111111 0.1482 37 H 0.6545 -0.1465 -1.0399 H 1 UNL1111111111 0.1627 38 H 2.3970 0.4957 -2.5444 H 1 UNL1111111111 0.1511 39 H 3.5647 1.8189 -2.4787 H 1 UNL1111111111 0.1632 40 H -0.9178 1.8855 -0.5304 H 1 UNL1111111111 0.1493 41 H -0.8358 1.4124 1.1625 H 1 UNL1111111111 0.1426 42 H -1.5449 -1.0223 0.3972 H 1 UNL1111111111 0.1479 43 H -5.6907 0.3769 1.2555 H 1 UNL1111111111 0.1308 44 H -3.4608 1.3251 -0.3359 H 1 UNL1111111111 0.1422 45 H -3.2188 0.7532 1.3154 H 1 UNL1111111111 0.1437 46 H -4.0057 -1.5400 0.6848 H 1 UNL1111111111 0.1400 47 H -4.1459 -1.0666 -1.0051 H 1 UNL1111111111 0.1555 48 H 1.6698 4.2509 1.5630 H 1 UNL1111111111 0.3156 49 H 3.4877 3.5987 -0.6561 H 1 UNL1111111111 0.3313 50 H -6.5827 -1.9881 -0.5260 H 1 UNL1111111111 0.1395 51 H -6.2848 -2.0663 1.2141 H 1 UNL1111111111 0.1303 52 H -5.4734 1.6151 -0.9276 H 1 UNL1111111111 0.1286 53 H -6.0934 0.2142 -1.8073 H 1 UNL1111111111 0.1388 54 H 5.3834 0.3304 -2.6105 H 1 UNL1111111111 0.1453 55 H -8.7295 -1.7917 0.7513 H 1 UNL1111111111 0.1288 56 H -8.1054 -0.4032 1.6471 H 1 UNL1111111111 0.1334 57 H -7.6166 1.8258 0.3453 H 1 UNL1111111111 0.1334 58 H -7.9181 1.8780 -1.3946 H 1 UNL1111111111 0.1288 59 H -8.5745 -0.5340 -1.4041 H 1 UNL1111111111 0.1362 60 H -9.5573 0.3625 -0.2409 H 1 UNL1111111111 0.1274 61 H -1.9862 0.2899 -2.0637 H 1 UNL1111111111 0.3098 62 H 5.1901 -2.1078 -2.5072 H 1 UNL1111111111 0.1393 63 H 2.3251 -1.5622 -1.4578 H 1 UNL1111111111 0.1590 64 H 2.6286 -2.6359 -2.8178 H 1 UNL1111111111 0.1531 65 H 4.1256 -4.0748 -1.3808 H 1 UNL1111111111 0.1409 66 H 2.4818 -3.9548 -0.7370 H 1 UNL1111111111 0.1591 67 H 4.7399 -2.0668 0.2231 H 1 UNL1111111111 0.1885 68 H 4.5099 -3.6638 0.9431 H 1 UNL1111111111 0.1721 69 H 1.7876 -0.2971 2.6787 H 1 UNL1111111111 0.1389 70 H 2.0187 -1.7503 3.7106 H 1 UNL1111111111 0.1406 71 H 3.1830 -0.3739 3.8352 H 1 UNL1111111111 0.1431 @BOND 1 1 8 1 2 1 48 1 3 2 9 1 4 2 49 1 5 3 14 1 6 3 61 1 7 4 28 1 8 4 29 1 9 5 28 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 30 1 14 7 9 1 15 7 12 1 16 7 31 1 17 8 10 1 18 8 32 1 19 9 10 1 20 9 33 1 21 10 34 1 22 10 35 1 23 11 13 1 24 11 36 1 25 11 37 1 26 12 20 1 27 12 38 1 28 12 39 1 29 13 14 1 30 13 40 1 31 13 41 1 32 14 16 1 33 14 42 1 34 15 17 1 35 15 18 1 36 15 19 1 37 15 43 1 38 16 17 1 39 16 44 1 40 16 45 1 41 17 46 1 42 17 47 1 43 18 21 1 44 18 50 1 45 18 51 1 46 19 22 1 47 19 52 1 48 19 53 1 49 20 24 2 50 20 54 1 51 21 23 1 52 21 55 1 53 21 56 1 54 22 23 1 55 22 57 1 56 22 58 1 57 23 59 1 58 23 60 1 59 24 25 1 60 24 62 1 61 25 26 1 62 25 63 1 63 25 64 1 64 26 27 1 65 26 65 1 66 26 66 1 67 27 28 1 68 27 67 1 69 27 68 1 70 29 69 1 71 29 70 1 72 29 71 1