@MOLECULE (5z)-5-[(3as,4s,5r,6as)-4-(cyclohexylethynyl)-5-hydroxyhexahydro-2(1h)-pentalenylidene]pentanoic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3801 -2.9661 2.2895 O.3 1 UNL1111111111 -0.5695 2 O 6.1732 2.6438 0.3426 O.3 1 UNL1111111111 -0.5799 3 O 5.5756 1.0824 1.8115 O.2 1 UNL1111111111 -0.5026 4 C -1.1841 -1.6718 -0.8608 C.3 1 UNL1111111111 -0.0996 5 C -1.0096 -3.2166 -0.9047 C.3 1 UNL1111111111 -0.0990 6 C -1.7049 -1.3764 0.5661 C.3 1 UNL1111111111 -0.1547 7 C -1.9834 -3.8056 0.1243 C.3 1 UNL1111111111 -0.3218 8 C -2.5561 -2.6260 0.9298 C.3 1 UNL1111111111 0.1732 9 C 0.2054 -1.0754 -1.1333 C.3 1 UNL1111111111 -0.2999 10 C 0.4769 -3.4582 -0.5683 C.3 1 UNL1111111111 -0.3057 11 C 1.1925 -2.1848 -0.9166 C.2 1 UNL1111111111 0.0351 12 C -2.4657 -0.1698 0.6330 C.1 1 UNL1111111111 -0.1527 13 C 2.5204 -2.0824 -1.0123 C.2 1 UNL1111111111 -0.2451 14 C -3.8650 2.0763 0.7522 C.3 1 UNL1111111111 -0.0694 15 C 3.2420 -0.8220 -1.3620 C.3 1 UNL1111111111 -0.2607 16 C -3.1119 0.8536 0.6942 C.1 1 UNL1111111111 -0.0793 17 C -2.9592 3.2459 1.2028 C.3 1 UNL1111111111 -0.2635 18 C -4.4874 2.3935 -0.6272 C.3 1 UNL1111111111 -0.2637 19 C -1.8799 3.5423 0.1544 C.3 1 UNL1111111111 -0.2607 20 C -3.4017 2.6977 -1.6671 C.3 1 UNL1111111111 -0.2618 21 C -2.5171 3.8625 -1.2041 C.3 1 UNL1111111111 -0.2653 22 C 3.9655 -0.2716 -0.1231 C.3 1 UNL1111111111 -0.2459 23 C 4.7027 1.0234 -0.4729 C.3 1 UNL1111111111 -0.3501 24 C 5.4873 1.5202 0.6965 C.2 1 UNL1111111111 0.6470 25 H -1.9206 -1.3280 -1.6121 H 1 UNL1111111111 0.1394 26 H -1.2294 -3.6029 -1.9200 H 1 UNL1111111111 0.1332 27 H -0.8315 -1.3337 1.2770 H 1 UNL1111111111 0.1829 28 H -2.7878 -4.3800 -0.3604 H 1 UNL1111111111 0.1430 29 H -1.4823 -4.5163 0.8099 H 1 UNL1111111111 0.1715 30 H -3.6374 -2.4659 0.7497 H 1 UNL1111111111 0.1188 31 H 0.4143 -0.2112 -0.4756 H 1 UNL1111111111 0.1599 32 H 0.2703 -0.6888 -2.1681 H 1 UNL1111111111 0.1505 33 H 0.8791 -4.3294 -1.1101 H 1 UNL1111111111 0.1463 34 H 0.6092 -3.6801 0.5107 H 1 UNL1111111111 0.1651 35 H 3.1658 -2.9395 -0.8333 H 1 UNL1111111111 0.1496 36 H -2.6447 -2.2274 2.8700 H 1 UNL1111111111 0.3195 37 H -4.6992 1.9647 1.4996 H 1 UNL1111111111 0.1472 38 H 2.5536 -0.0565 -1.7703 H 1 UNL1111111111 0.1407 39 H 3.9723 -1.0233 -2.1730 H 1 UNL1111111111 0.1403 40 H -2.4899 3.0036 2.1738 H 1 UNL1111111111 0.1387 41 H -3.5800 4.1447 1.3714 H 1 UNL1111111111 0.1365 42 H -5.1697 3.2576 -0.5302 H 1 UNL1111111111 0.1364 43 H -5.1072 1.5423 -0.9631 H 1 UNL1111111111 0.1368 44 H -1.2063 2.6683 0.0562 H 1 UNL1111111111 0.1445 45 H -1.2477 4.3841 0.4885 H 1 UNL1111111111 0.1295 46 H -3.8647 2.9335 -2.6416 H 1 UNL1111111111 0.1282 47 H -2.7791 1.7961 -1.8296 H 1 UNL1111111111 0.1438 48 H -3.1169 4.7884 -1.1328 H 1 UNL1111111111 0.1344 49 H -1.7308 4.0627 -1.9544 H 1 UNL1111111111 0.1292 50 H 3.2398 -0.0960 0.6964 H 1 UNL1111111111 0.1581 51 H 4.6741 -1.0249 0.2748 H 1 UNL1111111111 0.1545 52 H 3.9880 1.8088 -0.8039 H 1 UNL1111111111 0.1811 53 H 5.3823 0.8706 -1.3405 H 1 UNL1111111111 0.1804 54 H 6.7156 3.0279 1.0711 H 1 UNL1111111111 0.3557 @BOND 1 1 8 1 2 1 36 1 3 2 24 1 4 2 54 1 5 3 24 2 6 4 5 1 7 4 6 1 8 4 9 1 9 4 25 1 10 5 7 1 11 5 10 1 12 5 26 1 13 6 8 1 14 6 12 1 15 6 27 1 16 7 8 1 17 7 28 1 18 7 29 1 19 8 30 1 20 9 11 1 21 9 31 1 22 9 32 1 23 10 11 1 24 10 33 1 25 10 34 1 26 11 13 2 27 12 16 3 28 13 15 1 29 13 35 1 30 14 16 1 31 14 17 1 32 14 18 1 33 14 37 1 34 15 22 1 35 15 38 1 36 15 39 1 37 17 19 1 38 17 40 1 39 17 41 1 40 18 20 1 41 18 42 1 42 18 43 1 43 19 21 1 44 19 44 1 45 19 45 1 46 20 21 1 47 20 46 1 48 20 47 1 49 21 48 1 50 21 49 1 51 22 23 1 52 22 50 1 53 22 51 1 54 23 24 1 55 23 52 1 56 23 53 1