@MOLECULE (1e,4r,9e,12as,15s,16s,16ar,17as)-15-benzyl-7-hydroxy-4,16,16a-trimethyl-5,6,7,8,15,15a,16,16a,17a,17b-decahydro-3h-oxacyclotetradecino[2,3-d]oxireno[f]isoindole-11,13(4h,14h)-dione 72 76 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7092 3.9988 -0.3847 O.3 1 UNL11 -0.3669 2 O -0.3643 -0.5445 -0.3907 O.3 1 UNL11 -0.4271 3 O 0.5378 -0.1752 2.3451 O.2 1 UNL11 -0.4889 4 O -0.9787 0.3723 -2.3594 O.2 1 UNL11 -0.5140 5 O -6.8408 -2.2395 -1.2171 O.3 1 UNL11 -0.5671 6 N 2.4478 -0.1203 1.1074 N.am 1 UNL11 -0.6149 7 C 1.8135 3.0839 -0.3092 C.3 1 UNL11 0.1613 8 C 0.5976 2.9344 0.5622 C.3 1 UNL11 -0.0136 9 C 1.6576 0.6820 -1.0238 C.3 1 UNL11 -0.1974 10 C 1.8680 2.1341 -1.4972 C.3 1 UNL11 -0.1232 11 C 0.4676 0.5450 -0.0326 C.3 1 UNL11 0.1912 12 C -0.3602 1.8280 0.1667 C.3 1 UNL11 -0.1910 13 C 2.8935 0.0960 -0.2744 C.3 1 UNL11 0.0978 14 C 3.0751 3.6643 0.2479 C.3 1 UNL11 -0.4589 15 C 1.0917 0.0328 1.2958 C.2 1 UNL11 0.5619 16 C 3.1255 2.2798 -2.3503 C.3 1 UNL11 -0.4421 17 C -1.4370 1.6252 1.1838 C.2 1 UNL11 -0.1731 18 C 3.3522 -1.2291 -0.9256 C.3 1 UNL11 -0.3376 19 C -2.7347 1.6547 0.8669 C.2 1 UNL11 -0.1432 20 C 4.5286 -1.7868 -0.1887 C.ar 1 UNL11 0.0127 21 C -1.1401 -0.4640 -1.5076 C.2 1 UNL11 0.6285 22 C -3.8111 1.4662 1.8855 C.3 1 UNL11 -0.2960 23 C 5.8174 -1.3337 -0.4782 C.ar 1 UNL11 -0.1819 24 C 4.3369 -2.7482 0.8060 C.ar 1 UNL11 -0.1836 25 C -4.9245 0.5187 1.3869 C.3 1 UNL11 -0.0701 26 C -2.1538 -1.5223 -1.4399 C.2 1 UNL11 -0.3109 27 C -4.3701 -0.9130 1.2697 C.3 1 UNL11 -0.2844 28 C 6.9072 -1.8383 0.2272 C.ar 1 UNL11 -0.1346 29 C 5.4287 -3.2503 1.5098 C.ar 1 UNL11 -0.1327 30 C -6.1061 0.5778 2.3621 C.3 1 UNL11 -0.4588 31 C -3.3875 -1.2809 -1.8984 C.2 1 UNL11 -0.0069 32 C -5.3539 -1.9089 0.6485 C.3 1 UNL11 -0.3406 33 C 6.7146 -2.7959 1.2219 C.ar 1 UNL11 -0.1613 34 C -4.5056 -2.2504 -1.7607 C.3 1 UNL11 -0.3703 35 C -5.6053 -1.6631 -0.8445 C.3 1 UNL11 0.1805 36 H 0.5849 3.2518 1.6045 H 1 UNL11 0.1663 37 H 1.4398 0.0648 -1.9289 H 1 UNL11 0.1766 38 H 0.9890 2.3891 -2.1631 H 1 UNL11 0.1797 39 H -0.8229 2.1079 -0.8249 H 1 UNL11 0.1963 40 H 3.7473 0.8202 -0.2636 H 1 UNL11 0.1513 41 H 2.8655 4.3895 1.0487 H 1 UNL11 0.1643 42 H 3.7226 2.8853 0.6720 H 1 UNL11 0.1605 43 H 3.6470 4.2051 -0.5183 H 1 UNL11 0.1599 44 H 4.0471 2.1075 -1.7849 H 1 UNL11 0.1455 45 H 3.1147 1.5765 -3.1919 H 1 UNL11 0.1485 46 H 3.1899 3.2902 -2.7760 H 1 UNL11 0.1529 47 H 3.0680 -0.5195 1.7866 H 1 UNL11 0.3297 48 H -1.0906 1.4330 2.2012 H 1 UNL11 0.1757 49 H 3.6021 -1.0494 -1.9908 H 1 UNL11 0.1613 50 H 2.5114 -1.9540 -0.9396 H 1 UNL11 0.1686 51 H -3.0843 1.8385 -0.1472 H 1 UNL11 0.1430 52 H -3.4005 1.0839 2.8423 H 1 UNL11 0.1533 53 H -4.2492 2.4575 2.1313 H 1 UNL11 0.1508 54 H 5.9712 -0.5895 -1.2560 H 1 UNL11 0.1507 55 H 3.3337 -3.1080 1.0307 H 1 UNL11 0.1597 56 H -5.2699 0.8635 0.3841 H 1 UNL11 0.1293 57 H -1.8541 -2.4459 -0.9477 H 1 UNL11 0.1877 58 H -4.0732 -1.2736 2.2747 H 1 UNL11 0.1465 59 H -3.4262 -0.8942 0.6876 H 1 UNL11 0.1571 60 H 7.9112 -1.4846 0.0005 H 1 UNL11 0.1482 61 H 5.2774 -3.9997 2.2853 H 1 UNL11 0.1525 62 H -5.8320 0.1963 3.3512 H 1 UNL11 0.1456 63 H -6.4671 1.6040 2.4904 H 1 UNL11 0.1430 64 H -6.9522 -0.0175 2.0013 H 1 UNL11 0.1447 65 H -3.6443 -0.3324 -2.3845 H 1 UNL11 0.1619 66 H -4.9874 -2.9388 0.8141 H 1 UNL11 0.1393 67 H -6.3269 -1.8541 1.1810 H 1 UNL11 0.1584 68 H 7.5664 -3.1893 1.7721 H 1 UNL11 0.1513 69 H -4.9551 -2.4586 -2.7593 H 1 UNL11 0.1784 70 H -4.1696 -3.2339 -1.3818 H 1 UNL11 0.1571 71 H -5.7856 -0.5847 -1.0635 H 1 UNL11 0.1475 72 H -6.8795 -3.1880 -0.9975 H 1 UNL11 0.3140 @BOND 1 1 7 1 2 1 8 1 3 2 11 1 4 2 21 1 5 3 15 2 6 4 21 2 7 5 35 1 8 5 72 1 9 6 13 1 10 6 15 am 11 6 47 1 12 7 8 1 13 7 14 1 14 8 12 1 15 8 36 1 16 9 10 1 17 9 37 1 18 10 7 1 19 10 16 1 20 10 38 1 21 11 9 1 22 11 15 1 23 12 11 1 24 12 17 1 25 12 39 1 26 13 9 1 27 13 18 1 28 13 40 1 29 14 41 1 30 14 42 1 31 14 43 1 32 16 44 1 33 16 45 1 34 16 46 1 35 17 19 2 36 17 48 1 37 18 20 1 38 18 49 1 39 18 50 1 40 19 22 1 41 19 51 1 42 20 23 ar 43 20 24 ar 44 21 26 1 45 22 25 1 46 22 52 1 47 22 53 1 48 23 28 ar 49 23 54 1 50 24 29 ar 51 24 55 1 52 25 27 1 53 25 30 1 54 25 56 1 55 26 31 2 56 26 57 1 57 27 32 1 58 27 58 1 59 27 59 1 60 28 33 ar 61 28 60 1 62 29 33 ar 63 29 61 1 64 30 62 1 65 30 63 1 66 30 64 1 67 31 34 1 68 31 65 1 69 32 35 1 70 32 66 1 71 32 67 1 72 33 68 1 73 34 35 1 74 34 69 1 75 34 70 1 76 35 71 1