@MOLECULE (1s,4s,6s,8r,9s,12s,13s,16r)-6,9-dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2186 2.0771 1.0527 O.3 1 UNL1111111111 -0.4068 2 O 1.2085 -1.7920 1.6707 O.3 1 UNL1111111111 -0.4556 3 O 2.5855 1.6774 -2.0204 O.3 1 UNL1111111111 -0.5534 4 O 3.0134 -2.6892 0.5942 O.3 1 UNL1111111111 -0.5755 5 O -2.2001 2.0311 1.9687 O.2 1 UNL1111111111 -0.4105 6 O -3.0966 -0.8482 1.7705 O.2 1 UNL1111111111 -0.3839 7 C 0.6173 -0.0027 0.2245 C.3 1 UNL1111111111 -0.0840 8 C -0.7567 -0.4820 -0.3177 C.3 1 UNL1111111111 -0.1232 9 C 1.8263 -0.7466 -0.3967 C.3 1 UNL1111111111 -0.2328 10 C -1.8750 0.4982 0.1415 C.3 1 UNL1111111111 -0.1964 11 C 0.6338 1.5177 0.0540 C.3 1 UNL1111111111 0.1179 12 C 3.1865 -0.0035 -0.3367 C.3 1 UNL1111111111 0.0586 13 C 0.7102 -0.4586 1.7037 C.3 1 UNL1111111111 -0.0331 14 C -0.8034 -0.6724 -1.8457 C.3 1 UNL1111111111 -0.2733 15 C -2.5596 1.1842 -1.0653 C.3 1 UNL1111111111 -0.2688 16 C 1.9904 2.1713 0.2601 C.3 1 UNL1111111111 -0.3626 17 C 2.9954 1.4998 -0.6832 C.3 1 UNL1111111111 0.1377 18 C 1.7789 -2.0815 0.4027 C.3 1 UNL1111111111 0.3689 19 C -3.2838 -0.0233 -1.7072 C.3 1 UNL1111111111 -0.0988 20 C -2.2297 -0.9409 -2.3644 C.3 1 UNL1111111111 -0.2699 21 C -1.4801 1.5549 1.1349 C.2 1 UNL1111111111 0.5756 22 C -3.0063 -0.4200 0.6592 C.2 1 UNL1111111111 0.4631 23 C -3.8837 -0.7170 -0.5077 C.2 1 UNL1111111111 -0.1349 24 C 4.1115 -0.6215 -1.3980 C.3 1 UNL1111111111 -0.4670 25 C 3.9033 -0.0601 1.0220 C.3 1 UNL1111111111 -0.4641 26 C -4.9884 -1.4528 -0.4538 C.2 1 UNL1111111111 -0.2350 27 H -0.9565 -1.4920 0.1368 H 1 UNL1111111111 0.1692 28 H 1.6356 -0.9719 -1.4695 H 1 UNL1111111111 0.1522 29 H 0.2191 1.8185 -0.9395 H 1 UNL1111111111 0.1339 30 H 1.3990 0.1581 2.3032 H 1 UNL1111111111 0.1408 31 H -0.2603 -0.5334 2.2264 H 1 UNL1111111111 0.1614 32 H -0.1580 -1.5256 -2.1359 H 1 UNL1111111111 0.1421 33 H -0.3835 0.2119 -2.3598 H 1 UNL1111111111 0.1364 34 H -1.8628 1.6857 -1.7488 H 1 UNL1111111111 0.1537 35 H -3.2785 1.9569 -0.7359 H 1 UNL1111111111 0.1600 36 H 1.9255 3.2574 0.0440 H 1 UNL1111111111 0.1728 37 H 2.3180 2.1018 1.3142 H 1 UNL1111111111 0.1722 38 H 3.9731 2.0364 -0.6791 H 1 UNL1111111111 0.1479 39 H 1.1584 -2.8721 -0.0707 H 1 UNL1111111111 0.1333 40 H -4.0485 0.2907 -2.4420 H 1 UNL1111111111 0.1464 41 H -2.2480 -0.8044 -3.4611 H 1 UNL1111111111 0.1392 42 H -2.4988 -2.0008 -2.1935 H 1 UNL1111111111 0.1483 43 H 3.7497 -0.4414 -2.4165 H 1 UNL1111111111 0.1513 44 H 5.1212 -0.1997 -1.3442 H 1 UNL1111111111 0.1499 45 H 4.2013 -1.7077 -1.2572 H 1 UNL1111111111 0.1676 46 H 4.5888 0.7858 1.1538 H 1 UNL1111111111 0.1474 47 H 3.2056 -0.0504 1.8657 H 1 UNL1111111111 0.1574 48 H 4.5245 -0.9610 1.1117 H 1 UNL1111111111 0.1555 49 H 1.8326 1.1015 -2.2483 H 1 UNL1111111111 0.3074 50 H 3.3967 -2.4605 1.4704 H 1 UNL1111111111 0.3443 51 H -5.6193 -1.6564 -1.3066 H 1 UNL1111111111 0.1490 52 H -5.3453 -1.9087 0.4644 H 1 UNL1111111111 0.1679 @BOND 1 1 11 1 2 1 21 1 3 2 13 1 4 2 18 1 5 3 17 1 6 3 49 1 7 4 18 1 8 4 50 1 9 5 21 2 10 6 22 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 13 1 15 8 10 1 16 8 14 1 17 8 27 1 18 9 12 1 19 9 18 1 20 9 28 1 21 10 15 1 22 10 21 1 23 10 22 1 24 11 16 1 25 11 29 1 26 12 17 1 27 12 24 1 28 12 25 1 29 13 30 1 30 13 31 1 31 14 20 1 32 14 32 1 33 14 33 1 34 15 19 1 35 15 34 1 36 15 35 1 37 16 17 1 38 16 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 19 20 1 43 19 23 1 44 19 40 1 45 20 41 1 46 20 42 1 47 22 23 1 48 23 26 2 49 24 43 1 50 24 44 1 51 24 45 1 52 25 46 1 53 25 47 1 54 25 48 1 55 26 51 1 56 26 52 1