@MOLECULE (1r,2s,4s,5s,6r,8r,9s,11r)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3as,5r,7r,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid 75 80 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.7249 -1.1590 -0.2190 C.3 1 UNL111111111 -0.1083 2 C 0.5139 -0.3025 0.3436 C.3 1 UNL111111111 0.0647 3 C 2.8764 -0.5862 0.7114 C.3 1 UNL111111111 -0.0629 4 C 1.3625 -2.5521 0.3011 C.2 1 UNL111111111 -0.0428 5 C 2.0204 -1.0970 -1.6726 C.2 1 UNL111111111 0.6392 6 C 0.7098 -0.8990 1.7972 C.3 1 UNL111111111 -0.1151 7 C 0.6608 1.2094 0.1259 C.3 1 UNL111111111 -0.3035 8 C -0.8451 -0.7086 -0.2476 C.3 1 UNL111111111 -0.0508 9 C 3.1486 0.8473 0.2526 C.3 1 UNL111111111 -0.1338 10 C 2.2133 -0.6304 2.1171 C.3 1 UNL111111111 -0.2797 11 C 4.1363 -1.4173 0.6065 C.2 1 UNL111111111 0.3303 12 C 0.7212 -2.3870 1.4765 C.2 1 UNL111111111 -0.1706 13 C 1.7115 -3.8108 -0.4065 C.3 1 UNL111111111 -0.0774 14 O 0.9445 -0.7026 -2.3965 O.3 1 UNL111111111 -0.5448 15 O 3.0605 -1.3552 -2.2261 O.2 1 UNL111111111 -0.5214 16 C 1.9684 1.7565 0.6733 C.3 1 UNL111111111 -0.1221 17 O -1.7868 -0.1263 0.6541 O.3 1 UNL111111111 -0.4252 18 C 4.3533 1.6052 0.8250 C.3 1 UNL111111111 -0.3151 19 O 4.6978 -1.8382 1.5861 O.2 1 UNL111111111 -0.4381 20 C 2.5629 -4.7010 0.5099 C.3 1 UNL111111111 -0.4458 21 C 0.4280 -4.5383 -0.8323 C.3 1 UNL111111111 -0.4421 22 C 2.4629 3.1665 0.2621 C.3 1 UNL111111111 -0.1202 23 C 3.9838 3.0812 0.5905 C.3 1 UNL111111111 -0.0149 24 C 2.1334 3.5171 -1.1825 C.3 1 UNL111111111 -0.4428 25 C -3.1068 -0.5630 0.4532 C.3 1 UNL111111111 0.3400 26 C -3.9481 0.3991 1.3225 C.3 1 UNL111111111 -0.3433 27 C -5.3788 0.2865 0.8420 C.3 1 UNL111111111 -0.1822 28 C -5.3878 0.6456 -0.6662 C.3 1 UNL111111111 0.0358 29 C -4.6747 -0.4746 -1.4216 C.3 1 UNL111111111 0.1391 30 O -3.3307 -0.4732 -0.9485 O.3 1 UNL111111111 -0.4896 31 C -4.5455 -0.1902 -2.9111 C.3 1 UNL111111111 -0.4638 32 O -6.7675 0.7696 -0.9880 O.3 1 UNL111111111 -0.3934 33 C -7.3874 1.3849 0.1577 C.3 1 UNL111111111 -0.0639 34 CL 4.9886 3.7001 -0.7501 Cl 1 UNL111111111 -0.1974 35 C -6.4693 1.1846 1.3425 C.2 1 UNL111111111 0.0006 36 C -6.6224 1.6966 2.5570 C.2 1 UNL111111111 -0.3572 37 H 1.1177 -0.6757 -3.3729 H 1 UNL111111111 0.3559 38 H 0.3157 -3.1191 2.1386 H 1 UNL111111111 0.1554 39 H -0.0054 -0.5508 2.5402 H 1 UNL111111111 0.1548 40 H 2.3653 0.2883 2.6970 H 1 UNL111111111 0.1482 41 H 2.6438 -1.4358 2.7400 H 1 UNL111111111 0.1677 42 H 4.5244 -1.6119 -0.4036 H 1 UNL111111111 0.1431 43 H 3.2485 0.8571 -0.8637 H 1 UNL111111111 0.1598 44 H 4.4951 1.3971 1.9007 H 1 UNL111111111 0.1588 45 H 5.3018 1.3103 0.3442 H 1 UNL111111111 0.1686 46 H 4.2506 3.7239 1.4492 H 1 UNL111111111 0.1424 47 H 1.9943 3.9351 0.9193 H 1 UNL111111111 0.1384 48 H 1.0478 3.5262 -1.3458 H 1 UNL111111111 0.1490 49 H 2.4995 4.5152 -1.4552 H 1 UNL111111111 0.1550 50 H 2.5657 2.8025 -1.8943 H 1 UNL111111111 0.1578 51 H 1.8797 1.7733 1.7916 H 1 UNL111111111 0.1437 52 H -0.2014 1.7286 0.5945 H 1 UNL111111111 0.1658 53 H 0.5737 1.4166 -0.9616 H 1 UNL111111111 0.1623 54 H -0.9947 -1.7995 -0.2972 H 1 UNL111111111 0.1333 55 H -1.0086 -0.2817 -1.2558 H 1 UNL111111111 0.1580 56 H -3.2095 -1.6320 0.7320 H 1 UNL111111111 0.1074 57 H -5.1231 -1.4713 -1.2253 H 1 UNL111111111 0.1253 58 H -5.5315 -0.0016 -3.3551 H 1 UNL111111111 0.1638 59 H -3.9169 0.6921 -3.0936 H 1 UNL111111111 0.1639 60 H -4.0797 -1.0308 -3.4388 H 1 UNL111111111 0.1572 61 H -4.9056 1.6271 -0.8696 H 1 UNL111111111 0.1453 62 H -8.3571 0.8709 0.2612 H 1 UNL111111111 0.1497 63 H -7.5444 2.4478 -0.0912 H 1 UNL111111111 0.1417 64 H -5.9303 1.5237 3.3663 H 1 UNL111111111 0.1560 65 H -7.4477 2.3289 2.8424 H 1 UNL111111111 0.1528 66 H -5.7336 -0.7697 0.9895 H 1 UNL111111111 0.1636 67 H -3.5596 1.4327 1.2257 H 1 UNL111111111 0.1751 68 H -3.8385 0.1409 2.3903 H 1 UNL111111111 0.1606 69 H 2.3138 -3.5905 -1.3271 H 1 UNL111111111 0.1514 70 H 2.0130 -5.0003 1.4080 H 1 UNL111111111 0.1461 71 H 3.4682 -4.1760 0.8433 H 1 UNL111111111 0.1568 72 H 2.8807 -5.6124 -0.0064 H 1 UNL111111111 0.1456 73 H -0.1823 -3.9135 -1.4943 H 1 UNL111111111 0.1467 74 H -0.1881 -4.8041 0.0334 H 1 UNL111111111 0.1460 75 H 0.6601 -5.4636 -1.3701 H 1 UNL111111111 0.1457 @BOND 1 1 5 1 2 1 4 1 3 1 3 1 4 1 2 1 5 2 7 1 6 2 6 1 7 2 8 1 8 3 10 1 9 3 11 1 10 3 9 1 11 4 12 2 12 4 13 1 13 5 14 1 14 5 15 2 15 6 12 1 16 6 39 1 17 6 10 1 18 7 16 1 19 7 52 1 20 7 53 1 21 8 54 1 22 8 55 1 23 8 17 1 24 9 43 1 25 9 18 1 26 9 16 1 27 10 40 1 28 10 41 1 29 11 42 1 30 11 19 2 31 12 38 1 32 13 69 1 33 13 20 1 34 13 21 1 35 14 37 1 36 16 22 1 37 16 51 1 38 17 25 1 39 18 44 1 40 18 45 1 41 18 23 1 42 20 70 1 43 20 71 1 44 20 72 1 45 21 73 1 46 21 74 1 47 21 75 1 48 22 23 1 49 22 47 1 50 22 24 1 51 23 46 1 52 23 34 1 53 24 48 1 54 24 49 1 55 24 50 1 56 25 56 1 57 25 30 1 58 25 26 1 59 26 27 1 60 26 67 1 61 26 68 1 62 27 35 1 63 27 28 1 64 27 66 1 65 28 29 1 66 28 61 1 67 28 32 1 68 29 30 1 69 29 57 1 70 29 31 1 71 31 58 1 72 31 59 1 73 31 60 1 74 32 33 1 75 33 62 1 76 33 63 1 77 33 35 1 78 35 36 2 79 36 64 1 80 36 65 1