@MOLECULE (3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-4-yl methacrylate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.2973 -0.2743 0.3014 Cl 1 UNL1111111111 -0.1956 2 O -1.3053 -1.8778 -0.0082 O.3 1 UNL1111111111 -0.4450 3 O -3.3966 1.0227 -1.7263 O.3 1 UNL1111111111 -0.5631 4 O -2.8196 1.2114 1.8336 O.3 1 UNL1111111111 -0.5635 5 O 2.9805 -0.0127 -0.0105 O.3 1 UNL1111111111 -0.4422 6 O -0.7422 -4.0276 -0.0877 O.2 1 UNL1111111111 -0.4204 7 O 4.0508 0.6988 1.8280 O.2 1 UNL1111111111 -0.5051 8 C -1.3637 0.3639 -0.8362 C.3 1 UNL1111111111 -0.1708 9 C -0.8067 1.8142 -0.7619 C.3 1 UNL1111111111 -0.1215 10 C -2.8682 0.5625 -0.4993 C.3 1 UNL1111111111 0.2321 11 C -0.6733 -0.5924 0.1281 C.3 1 UNL1111111111 0.1123 12 C -2.9194 1.7381 0.5266 C.3 1 UNL1111111111 0.1105 13 C -1.6322 2.5470 0.3189 C.3 1 UNL1111111111 -0.3043 14 C 0.8235 -0.8254 -0.2132 C.3 1 UNL1111111111 -0.2022 15 C 0.6720 1.9339 -0.5276 C.2 1 UNL1111111111 0.0350 16 C 1.7283 0.0171 0.6904 C.3 1 UNL1111111111 0.1555 17 C 1.2306 1.4647 0.7831 C.3 1 UNL1111111111 -0.3504 18 C -3.5930 -0.6882 -0.0398 C.3 1 UNL1111111111 -0.2150 19 C 0.9921 -2.3042 -0.0748 C.2 1 UNL1111111111 -0.1391 20 C -0.3707 -2.8911 -0.0567 C.2 1 UNL1111111111 0.5921 21 C 1.4717 2.4555 -1.4622 C.2 1 UNL1111111111 -0.3535 22 C 2.1176 -3.0064 0.0025 C.2 1 UNL1111111111 -0.2086 23 C 4.0911 0.3669 0.6692 C.2 1 UNL1111111111 0.5914 24 C 5.2837 0.3081 -0.2070 C.2 1 UNL1111111111 -0.0681 25 C 5.0970 -0.2915 -1.5531 C.3 1 UNL1111111111 -0.4354 26 C 6.4394 0.7955 0.2516 C.2 1 UNL1111111111 -0.2444 27 H -1.2773 -0.0270 -1.8788 H 1 UNL1111111111 0.1759 28 H -1.0556 2.2872 -1.7523 H 1 UNL1111111111 0.1634 29 H -0.8379 -0.3021 1.1917 H 1 UNL1111111111 0.1661 30 H -3.8384 2.3435 0.4241 H 1 UNL1111111111 0.1258 31 H -1.0854 2.6261 1.2799 H 1 UNL1111111111 0.1706 32 H -1.8474 3.5831 0.0132 H 1 UNL1111111111 0.1484 33 H 1.0295 -0.5332 -1.2801 H 1 UNL1111111111 0.1932 34 H 1.8729 -0.4322 1.6982 H 1 UNL1111111111 0.1511 35 H 2.0656 2.1206 1.1145 H 1 UNL1111111111 0.1771 36 H 0.4804 1.5460 1.5995 H 1 UNL1111111111 0.1722 37 H -3.1875 -1.1094 0.9000 H 1 UNL1111111111 0.1917 38 H -3.6003 -1.4777 -0.8134 H 1 UNL1111111111 0.1865 39 H -4.3696 1.1220 -1.7008 H 1 UNL1111111111 0.3300 40 H -3.6995 1.0021 2.2050 H 1 UNL1111111111 0.3263 41 H 1.1325 2.8022 -2.4246 H 1 UNL1111111111 0.1492 42 H 2.5369 2.5683 -1.3363 H 1 UNL1111111111 0.1501 43 H 3.1015 -2.5532 -0.0167 H 1 UNL1111111111 0.1599 44 H 2.1377 -4.0870 0.0928 H 1 UNL1111111111 0.1652 45 H 4.7552 -1.3366 -1.4860 H 1 UNL1111111111 0.1647 46 H 4.3264 0.2492 -2.1291 H 1 UNL1111111111 0.1715 47 H 6.0170 -0.2864 -2.1530 H 1 UNL1111111111 0.1570 48 H 7.3562 0.7969 -0.3206 H 1 UNL1111111111 0.1553 49 H 6.5508 1.2285 1.2405 H 1 UNL1111111111 0.1683 @BOND 1 1 18 1 2 2 11 1 3 2 20 1 4 3 10 1 5 3 39 1 6 4 12 1 7 4 40 1 8 5 16 1 9 5 23 1 10 6 20 2 11 7 23 2 12 8 9 1 13 8 10 1 14 8 11 1 15 8 27 1 16 9 13 1 17 9 15 1 18 9 28 1 19 10 12 1 20 10 18 1 21 11 14 1 22 11 29 1 23 12 13 1 24 12 30 1 25 13 31 1 26 13 32 1 27 14 16 1 28 14 19 1 29 14 33 1 30 15 17 1 31 15 21 2 32 16 17 1 33 16 34 1 34 17 35 1 35 17 36 1 36 18 37 1 37 18 38 1 38 19 20 1 39 19 22 2 40 21 41 1 41 21 42 1 42 22 43 1 43 22 44 1 44 23 24 1 45 24 25 1 46 24 26 2 47 25 45 1 48 25 46 1 49 25 47 1 50 26 48 1 51 26 49 1