@MOLECULE (1ar,4e,7s,7ar,10as,10bs)-1a,5-dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl (2e)-4-hydroxy-2-(hydroxymethyl)-2-butenoate 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1276 -0.6521 0.9117 O.3 1 UNL1111111111 -0.0795 2 O -2.7022 -2.1639 -0.7530 O.3 1 UNL1111111111 -0.2236 3 O 1.4680 -0.1280 -0.3992 O.3 1 UNL1111111111 -0.1886 4 O -1.9422 -4.1733 -0.1418 O.2 1 UNL1111111111 -0.2121 5 O 2.1141 1.3822 1.1362 O.2 1 UNL1111111111 -0.3080 6 O 3.8333 -2.2264 0.6916 O.3 1 UNL1111111111 -0.3727 7 O 7.0055 1.7686 -0.0011 O.3 1 UNL1111111111 -0.3499 8 C -3.8796 0.7482 0.7737 C.3 1 UNL1111111111 0.3576 9 C -2.7756 -0.2673 0.6435 C.3 1 UNL1111111111 -0.3353 10 C -2.2502 -0.7993 -0.6762 C.3 1 UNL1111111111 0.0813 11 C -0.6934 -0.9102 -0.7723 C.3 1 UNL1111111111 -0.5991 12 C -4.5370 1.3939 -0.4245 C.3 1 UNL1111111111 -0.5825 13 C -4.0269 1.5028 2.0701 C.3 1 UNL1111111111 -1.1082 14 C 0.0959 0.2871 -0.2379 C.3 1 UNL1111111111 0.5055 15 C -3.7687 2.6365 -0.9144 C.3 1 UNL1111111111 -0.0910 16 C -0.4595 -2.2290 -0.0907 C.2 1 UNL1111111111 0.0676 17 C -0.0699 1.5548 -1.0992 C.3 1 UNL1111111111 -1.0321 18 C -1.7141 -3.0080 -0.2870 C.2 1 UNL1111111111 0.2526 19 C -2.4222 2.2061 -1.3878 C.2 1 UNL1111111111 -0.5915 20 C -1.3002 2.2868 -0.6601 C.2 1 UNL1111111111 0.5238 21 C 0.5917 -2.7008 0.5685 C.2 1 UNL1111111111 -0.5000 22 C -1.1768 3.0165 0.6328 C.3 1 UNL1111111111 -1.0865 23 C 2.3983 0.5208 0.3409 C.2 1 UNL1111111111 0.0531 24 C 3.7606 0.0611 0.0002 C.2 1 UNL1111111111 -0.0015 25 C 3.9080 -1.3657 -0.4278 C.3 1 UNL1111111111 -0.4585 26 C 4.7697 0.9313 0.1326 C.2 1 UNL1111111111 0.0365 27 C 6.1986 0.6230 -0.1655 C.3 1 UNL1111111111 -0.5346 28 H -2.0985 -0.4231 1.4911 H 1 UNL1111111111 0.2544 29 H -2.7061 -0.3152 -1.5609 H 1 UNL1111111111 0.1854 30 H -0.4208 -1.0358 -1.8571 H 1 UNL1111111111 0.2700 31 H -5.5774 1.6762 -0.1633 H 1 UNL1111111111 0.2253 32 H -4.6423 0.6576 -1.2484 H 1 UNL1111111111 0.2225 33 H -5.0625 1.4313 2.4360 H 1 UNL1111111111 0.3317 34 H -3.3882 1.0970 2.8656 H 1 UNL1111111111 0.3018 35 H -3.7905 2.5672 1.9568 H 1 UNL1111111111 0.3294 36 H -0.0990 0.4835 0.8393 H 1 UNL1111111111 0.1304 37 H -3.7065 3.3929 -0.1084 H 1 UNL1111111111 0.1287 38 H -4.3361 3.1270 -1.7308 H 1 UNL1111111111 0.1239 39 H -0.0925 1.2971 -2.1748 H 1 UNL1111111111 0.2834 40 H 0.8270 2.2003 -0.9840 H 1 UNL1111111111 0.3381 41 H -2.4256 1.7321 -2.3687 H 1 UNL1111111111 0.2718 42 H 1.5138 -2.1532 0.7288 H 1 UNL1111111111 0.3341 43 H 0.6130 -3.6955 1.0041 H 1 UNL1111111111 0.2617 44 H -1.6269 4.0170 0.5826 H 1 UNL1111111111 0.2948 45 H -0.1283 3.1536 0.9410 H 1 UNL1111111111 0.3233 46 H -1.6712 2.4714 1.4507 H 1 UNL1111111111 0.3311 47 H 4.8561 -1.5627 -0.9628 H 1 UNL1111111111 0.1985 48 H 3.0652 -1.7150 -1.0655 H 1 UNL1111111111 0.3061 49 H 4.5941 1.9549 0.4961 H 1 UNL1111111111 0.1642 50 H 6.3490 0.2088 -1.1822 H 1 UNL1111111111 0.2186 51 H 6.6332 -0.0836 0.5775 H 1 UNL1111111111 0.3256 52 H 4.4578 -1.9446 1.3909 H 1 UNL1111111111 0.3228 53 H 6.7949 2.4468 -0.6757 H 1 UNL1111111111 0.2998 @BOND 1 1 8 1 2 1 9 1 3 2 10 1 4 2 18 1 5 3 14 1 6 3 23 1 7 4 18 2 8 5 23 2 9 6 25 1 10 6 52 1 11 7 27 1 12 7 53 1 13 8 9 1 14 8 12 1 15 8 13 1 16 9 10 1 17 9 28 1 18 10 11 1 19 10 29 1 20 11 14 1 21 11 16 1 22 11 30 1 23 12 15 1 24 12 31 1 25 12 32 1 26 13 33 1 27 13 34 1 28 13 35 1 29 14 17 1 30 14 36 1 31 15 19 1 32 15 37 1 33 15 38 1 34 16 18 1 35 16 21 2 36 17 20 1 37 17 39 1 38 17 40 1 39 19 20 2 40 19 41 1 41 20 22 1 42 21 42 1 43 21 43 1 44 22 44 1 45 22 45 1 46 22 46 1 47 23 24 1 48 24 25 1 49 24 26 2 50 25 47 1 51 25 48 1 52 26 27 1 53 26 49 1 54 27 50 1 55 27 51 1