@MOLECULE (1r,2e,4s,6z,9e,11r)-11-hydroxy-7-(hydroxymethyl)-4-(3-hydroxy-4-methyl-4-penten-1-yl)-4,11-dimethyl-8-oxo-2,6,9-cycloundecatrien-1-yl 3-methyl-2-butenoate 67 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9835 -1.3373 -0.4980 O.3 1 UNL1111111111 -0.4493 2 O 4.8740 -2.3699 -0.7067 O.3 1 UNL1111111111 -0.5571 3 O -1.3942 0.9451 -3.1889 O.3 1 UNL1111111111 -0.5608 4 O -3.5486 3.0847 1.6571 O.3 1 UNL1111111111 -0.5320 5 O -1.2701 4.9740 -0.4435 O.2 1 UNL1111111111 -0.4330 6 O -1.0452 -3.3112 -1.0030 O.2 1 UNL1111111111 -0.5318 7 C 1.4251 0.7964 0.9782 C.3 1 UNL1111111111 0.0939 8 C 2.7242 0.6008 0.1585 C.3 1 UNL1111111111 -0.2863 9 C 1.0888 2.3188 0.9449 C.3 1 UNL1111111111 -0.3116 10 C 3.1780 -0.8579 0.1035 C.3 1 UNL1111111111 -0.3351 11 C 0.2423 0.0681 0.3929 C.2 1 UNL1111111111 -0.1496 12 C 1.6546 0.3211 2.4206 C.3 1 UNL1111111111 -0.4631 13 C 4.4624 -1.0079 -0.7284 C.3 1 UNL1111111111 0.1332 14 C -1.1755 -0.7175 -1.5011 C.3 1 UNL1111111111 0.0766 15 C 0.0842 -0.1738 -0.9100 C.2 1 UNL1111111111 -0.2072 16 C -2.0525 0.4752 -2.0272 C.3 1 UNL1111111111 0.2920 17 C -0.1414 2.6652 1.7155 C.2 1 UNL1111111111 -0.0810 18 C -1.1920 3.3284 1.2237 C.2 1 UNL1111111111 -0.2249 19 C 5.6504 -0.2674 -0.1543 C.2 1 UNL1111111111 0.0552 20 C -2.0060 1.5932 -1.0248 C.2 1 UNL1111111111 -0.1056 21 C -3.4795 0.0471 -2.3463 C.3 1 UNL1111111111 -0.4967 22 C -1.2930 3.7939 -0.1862 C.2 1 UNL1111111111 0.4785 23 C -1.3943 2.7610 -1.2410 C.2 1 UNL1111111111 -0.2578 24 C -2.3599 3.7325 2.0720 C.3 1 UNL1111111111 0.0046 25 C 5.9626 -0.5662 1.2698 C.3 1 UNL1111111111 -0.4551 26 C 6.3808 0.5562 -0.9088 C.2 1 UNL1111111111 -0.3732 27 C -1.8204 -2.6835 -0.3235 C.2 1 UNL1111111111 0.6427 28 C -2.7223 -3.1552 0.7210 C.2 1 UNL1111111111 -0.4032 29 C -2.8057 -4.4402 1.1127 C.2 1 UNL1111111111 0.2234 30 C -3.7593 -4.8505 2.1860 C.3 1 UNL1111111111 -0.4817 31 C -1.9792 -5.5416 0.5547 C.3 1 UNL1111111111 -0.4938 32 H 3.5354 1.2173 0.5947 H 1 UNL1111111111 0.1469 33 H 2.5813 0.9913 -0.8691 H 1 UNL1111111111 0.1466 34 H 1.0105 2.6420 -0.1150 H 1 UNL1111111111 0.1632 35 H 1.9422 2.8971 1.3661 H 1 UNL1111111111 0.1606 36 H 3.3521 -1.2558 1.1231 H 1 UNL1111111111 0.1565 37 H 2.3772 -1.4927 -0.3237 H 1 UNL1111111111 0.1540 38 H -0.5321 -0.1928 1.1156 H 1 UNL1111111111 0.1524 39 H 1.7888 -0.7679 2.4612 H 1 UNL1111111111 0.1517 40 H 0.8091 0.5616 3.0723 H 1 UNL1111111111 0.1432 41 H 2.5479 0.7803 2.8571 H 1 UNL1111111111 0.1472 42 H 4.2793 -0.7324 -1.7930 H 1 UNL1111111111 0.1217 43 H -0.9704 -1.4414 -2.3231 H 1 UNL1111111111 0.1581 44 H 0.8420 0.0763 -1.6526 H 1 UNL1111111111 0.1672 45 H -0.1192 2.3644 2.7657 H 1 UNL1111111111 0.1471 46 H -2.4840 1.3535 -0.0734 H 1 UNL1111111111 0.1557 47 H -4.0247 0.8595 -2.8462 H 1 UNL1111111111 0.1680 48 H -4.0337 -0.2097 -1.4351 H 1 UNL1111111111 0.1730 49 H -3.5134 -0.8259 -3.0022 H 1 UNL1111111111 0.1537 50 H -0.9322 3.0230 -2.1964 H 1 UNL1111111111 0.1941 51 H 4.1418 -2.9491 -0.9882 H 1 UNL1111111111 0.3131 52 H -2.2037 3.5279 3.1461 H 1 UNL1111111111 0.1184 53 H -2.6120 4.8091 1.9382 H 1 UNL1111111111 0.1674 54 H -1.6627 0.4448 -3.9822 H 1 UNL1111111111 0.3226 55 H 5.1729 -0.2050 1.9422 H 1 UNL1111111111 0.1532 56 H 6.0446 -1.6579 1.4176 H 1 UNL1111111111 0.1753 57 H 6.9063 -0.1187 1.6015 H 1 UNL1111111111 0.1500 58 H 6.1890 0.7446 -1.9520 H 1 UNL1111111111 0.1482 59 H 7.2401 1.0940 -0.5448 H 1 UNL1111111111 0.1489 60 H -3.4239 2.1151 1.6478 H 1 UNL1111111111 0.3057 61 H -3.3482 -2.3819 1.1684 H 1 UNL1111111111 0.1869 62 H -4.3150 -4.0083 2.6208 H 1 UNL1111111111 0.1629 63 H -4.5054 -5.5652 1.8063 H 1 UNL1111111111 0.1703 64 H -3.2310 -5.3517 3.0130 H 1 UNL1111111111 0.1698 65 H -1.0336 -5.6387 1.1012 H 1 UNL1111111111 0.1778 66 H -1.6821 -5.3634 -0.4971 H 1 UNL1111111111 0.1978 67 H -2.4847 -6.5162 0.5820 H 1 UNL1111111111 0.1608 @BOND 1 1 14 1 2 1 27 1 3 2 13 1 4 2 51 1 5 3 16 1 6 3 54 1 7 4 24 1 8 4 60 1 9 5 22 2 10 6 27 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 12 1 15 8 10 1 16 8 32 1 17 8 33 1 18 9 17 1 19 9 34 1 20 9 35 1 21 10 13 1 22 10 36 1 23 10 37 1 24 11 15 2 25 11 38 1 26 12 39 1 27 12 40 1 28 12 41 1 29 13 19 1 30 13 42 1 31 14 15 1 32 14 16 1 33 14 43 1 34 15 44 1 35 16 20 1 36 16 21 1 37 17 18 2 38 17 45 1 39 18 22 1 40 18 24 1 41 19 25 1 42 19 26 2 43 20 23 2 44 20 46 1 45 21 47 1 46 21 48 1 47 21 49 1 48 22 23 1 49 23 50 1 50 24 52 1 51 24 53 1 52 25 55 1 53 25 56 1 54 25 57 1 55 26 58 1 56 26 59 1 57 27 28 1 58 28 29 2 59 28 61 1 60 29 30 1 61 29 31 1 62 30 62 1 63 30 63 1 64 30 64 1 65 31 65 1 66 31 66 1 67 31 67 1