@MOLECULE (1r,3r,3ar,11as,13br)-11a-hydroxy-3a,11,11,13b-tetramethyl-3-{(1s)-1-[(2r)-5-methyl-6-oxo-3,6-dihydro-2h-pyran-2-yl]ethyl}-9-oxo-1,2,3,3a,4,5,9,11,11a,12,13,13b-dodecahydroindeno[5',4':4,5]cyclohepta[1,2-c]oxepin-1-yl acetate 81 85 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3971 -2.1709 0.3700 O.3 1 UNL1111111111 -0.4427 2 O 6.0016 0.1965 0.8581 O.3 1 UNL1111111111 -0.4286 3 O -3.5108 1.7825 -1.1840 O.3 1 UNL1111111111 -0.5775 4 O -6.2636 -0.4684 -0.9096 O.3 1 UNL1111111111 -0.4534 5 O 1.1023 -3.9271 -0.8411 O.2 1 UNL1111111111 -0.5143 6 O 8.1368 0.0850 1.2672 O.2 1 UNL1111111111 -0.4433 7 O -7.0254 -1.9437 0.4784 O.2 1 UNL1111111111 -0.4550 8 C 1.0825 0.7283 0.6430 C.3 1 UNL1111111111 0.0805 9 C 0.0536 0.0668 -0.3468 C.3 1 UNL1111111111 -0.0059 10 C 2.4285 0.4686 -0.0932 C.3 1 UNL1111111111 -0.1382 11 C 0.7411 -1.2754 -0.6885 C.3 1 UNL1111111111 0.1286 12 C 2.2535 -0.9716 -0.6526 C.3 1 UNL1111111111 -0.3317 13 C 0.6735 2.1920 0.8298 C.3 1 UNL1111111111 -0.2942 14 C -1.3054 0.0806 0.2731 C.2 1 UNL1111111111 0.0203 15 C 3.7045 0.5984 0.7538 C.3 1 UNL1111111111 -0.1222 16 C 1.0871 0.0333 2.0122 C.3 1 UNL1111111111 -0.4587 17 C -0.0891 0.8189 -1.6910 C.3 1 UNL1111111111 -0.4565 18 C -0.7682 2.2908 1.3732 C.3 1 UNL1111111111 -0.2654 19 C -1.6692 1.1421 1.0233 C.2 1 UNL1111111111 -0.1028 20 C -2.2641 -1.0362 0.0149 C.3 1 UNL1111111111 -0.2840 21 C 4.9323 0.1781 -0.0899 C.3 1 UNL1111111111 0.1257 22 C 3.8940 2.0139 1.3015 C.3 1 UNL1111111111 -0.4465 23 C -3.3989 -0.6254 -0.9302 C.3 1 UNL1111111111 -0.3251 24 C -4.1396 0.6767 -0.5539 C.3 1 UNL1111111111 0.2541 25 C -3.0060 1.2072 1.6056 C.2 1 UNL1111111111 -0.1183 26 C -4.1442 0.9241 0.9389 C.2 1 UNL1111111111 -0.0996 27 C 5.2285 1.0917 -1.2848 C.3 1 UNL1111111111 -0.3500 28 C -5.5432 0.7089 -1.2608 C.3 1 UNL1111111111 0.3149 29 C 0.6134 -3.4956 0.1705 C.2 1 UNL1111111111 0.6253 30 C 6.5676 0.7529 -1.8434 C.2 1 UNL1111111111 -0.1103 31 C -5.3807 0.8902 1.7120 C.2 1 UNL1111111111 -0.0660 32 C -6.3326 1.9814 -0.9935 C.3 1 UNL1111111111 -0.4978 33 C -5.3903 0.5142 -2.7785 C.3 1 UNL1111111111 -0.4684 34 C 7.2921 0.1704 0.4135 C.2 1 UNL1111111111 0.5898 35 C 7.5355 0.2909 -1.0425 C.2 1 UNL1111111111 -0.1236 36 C 0.1546 -4.2559 1.3663 C.3 1 UNL1111111111 -0.5120 37 C -6.4504 0.1274 1.4672 C.2 1 UNL1111111111 -0.3006 38 C -6.5867 -0.8258 0.3580 C.2 1 UNL1111111111 0.6135 39 C 8.8936 -0.0968 -1.4931 C.3 1 UNL1111111111 -0.4320 40 H 2.5021 1.1898 -0.9400 H 1 UNL1111111111 0.1358 41 H 0.4075 -1.7200 -1.6466 H 1 UNL1111111111 0.1425 42 H 2.6984 -1.0712 -1.6542 H 1 UNL1111111111 0.1473 43 H 2.7643 -1.7150 -0.0143 H 1 UNL1111111111 0.1646 44 H 0.7651 2.7463 -0.1209 H 1 UNL1111111111 0.1383 45 H 1.3615 2.7027 1.5286 H 1 UNL1111111111 0.1474 46 H 3.6524 -0.1076 1.6236 H 1 UNL1111111111 0.1633 47 H 1.4948 -0.9829 1.9558 H 1 UNL1111111111 0.1603 48 H 0.0766 -0.0642 2.4246 H 1 UNL1111111111 0.1549 49 H 1.6848 0.5934 2.7384 H 1 UNL1111111111 0.1449 50 H -0.8186 0.3152 -2.3384 H 1 UNL1111111111 0.1555 51 H -0.4407 1.8463 -1.5456 H 1 UNL1111111111 0.1525 52 H 0.8570 0.8722 -2.2385 H 1 UNL1111111111 0.1521 53 H -0.7236 2.3801 2.4808 H 1 UNL1111111111 0.1505 54 H -1.2266 3.2384 1.0197 H 1 UNL1111111111 0.1480 55 H -1.7513 -1.9238 -0.4094 H 1 UNL1111111111 0.1612 56 H -2.6896 -1.3934 0.9798 H 1 UNL1111111111 0.1621 57 H 4.8474 -0.8830 -0.4222 H 1 UNL1111111111 0.1326 58 H 3.2112 2.2112 2.1363 H 1 UNL1111111111 0.1469 59 H 4.9136 2.1470 1.6939 H 1 UNL1111111111 0.1675 60 H 3.7242 2.7824 0.5422 H 1 UNL1111111111 0.1378 61 H -4.1310 -1.4613 -0.9853 H 1 UNL1111111111 0.1768 62 H -2.9999 -0.5097 -1.9591 H 1 UNL1111111111 0.1590 63 H -3.0265 1.4702 2.6678 H 1 UNL1111111111 0.1546 64 H 4.4296 0.9919 -2.0459 H 1 UNL1111111111 0.1635 65 H 5.2122 2.1606 -0.9763 H 1 UNL1111111111 0.1766 66 H 6.7079 0.9065 -2.9102 H 1 UNL1111111111 0.1554 67 H -5.3845 1.5492 2.5926 H 1 UNL1111111111 0.1574 68 H -2.5548 1.8186 -0.9719 H 1 UNL1111111111 0.3328 69 H -7.3510 1.9027 -1.3937 H 1 UNL1111111111 0.1615 70 H -5.8376 2.8347 -1.4833 H 1 UNL1111111111 0.1749 71 H -6.4182 2.2447 0.0628 H 1 UNL1111111111 0.1578 72 H -6.3381 0.7011 -3.2970 H 1 UNL1111111111 0.1583 73 H -5.0949 -0.5121 -3.0287 H 1 UNL1111111111 0.1624 74 H -4.6353 1.2025 -3.1795 H 1 UNL1111111111 0.1715 75 H 1.0100 -4.7206 1.8815 H 1 UNL1111111111 0.1860 76 H -0.5282 -5.0686 1.0702 H 1 UNL1111111111 0.1879 77 H -0.3720 -3.6217 2.0976 H 1 UNL1111111111 0.1869 78 H -7.3235 0.1343 2.1279 H 1 UNL1111111111 0.1850 79 H 9.0540 -1.1828 -1.3902 H 1 UNL1111111111 0.1675 80 H 9.6725 0.3878 -0.8776 H 1 UNL1111111111 0.1770 81 H 9.0904 0.1665 -2.5403 H 1 UNL1111111111 0.1529 @BOND 1 1 11 1 2 1 29 1 3 2 21 1 4 2 34 1 5 3 24 1 6 3 68 1 7 4 28 1 8 4 38 1 9 5 29 2 10 6 34 2 11 7 38 2 12 8 9 1 13 8 10 1 14 8 13 1 15 8 16 1 16 9 11 1 17 9 14 1 18 9 17 1 19 10 12 1 20 10 15 1 21 10 40 1 22 11 12 1 23 11 41 1 24 12 42 1 25 12 43 1 26 13 18 1 27 13 44 1 28 13 45 1 29 14 19 2 30 14 20 1 31 15 21 1 32 15 22 1 33 15 46 1 34 16 47 1 35 16 48 1 36 16 49 1 37 17 50 1 38 17 51 1 39 17 52 1 40 18 19 1 41 18 53 1 42 18 54 1 43 19 25 1 44 20 23 1 45 20 55 1 46 20 56 1 47 21 27 1 48 21 57 1 49 22 58 1 50 22 59 1 51 22 60 1 52 23 24 1 53 23 61 1 54 23 62 1 55 24 26 1 56 24 28 1 57 25 26 2 58 25 63 1 59 26 31 1 60 27 30 1 61 27 64 1 62 27 65 1 63 28 32 1 64 28 33 1 65 29 36 1 66 30 35 2 67 30 66 1 68 31 37 2 69 31 67 1 70 32 69 1 71 32 70 1 72 32 71 1 73 33 72 1 74 33 73 1 75 33 74 1 76 34 35 1 77 35 39 1 78 36 75 1 79 36 76 1 80 36 77 1 81 37 38 1 82 37 78 1 83 39 79 1 84 39 80 1 85 39 81 1