@MOLECULE [(1s,4s,5s,6r,9s,10r,12r,14r)-4-(benzoyloxy)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-7-yl]methyl benzoate 77 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3689 1.2431 -0.0762 C.3 1 UNL1 -0.1229 2 C 1.0583 0.3025 -1.1279 C.3 1 UNL1 0.2070 3 C -2.2178 2.5802 0.4011 C.3 1 UNL1 -0.2030 4 C -2.2974 3.9833 0.9883 C.3 1 UNL1 0.0421 5 C -1.2445 3.0141 1.5176 C.3 1 UNL1 -0.1905 6 C -1.7494 2.3244 -1.0189 C.3 1 UNL1 -0.2307 7 C 1.1576 -1.0929 -0.4235 C.3 1 UNL1 0.0827 8 C 0.1537 0.1389 -2.4160 C.3 1 UNL1 0.0701 9 C 1.1556 2.1025 0.9462 C.3 1 UNL1 -0.0492 10 C 5.6805 -2.1971 0.6174 C.ar 1 UNL1 -0.0929 11 C 4.8334 0.0796 0.6652 C.ar 1 UNL1 -0.0778 12 C -3.8960 -3.8355 0.8294 C.ar 1 UNL1 -0.0869 13 C -4.1485 -1.4252 0.7031 C.ar 1 UNL1 -0.0774 14 C -4.9498 -1.4523 1.8417 C.ar 1 UNL1 -0.1789 15 C 6.8470 -1.7702 1.2475 C.ar 1 UNL1 -0.1732 16 C 6.0047 0.4993 1.2914 C.ar 1 UNL1 -0.1744 17 C -4.7015 -3.8564 1.9652 C.ar 1 UNL1 -0.1734 18 C -5.2255 -2.6664 2.4700 C.ar 1 UNL1 -0.1032 19 C 7.0066 -0.4255 1.5837 C.ar 1 UNL1 -0.1122 20 C -1.9933 -1.1557 -2.7075 C.3 1 UNL1 -0.0199 21 C -1.8983 5.1739 0.1585 C.3 1 UNL1 -0.4507 22 C -3.4765 4.2808 1.8860 C.3 1 UNL1 -0.4480 23 C -0.3475 -2.2179 1.3525 C.3 1 UNL1 -0.4547 24 C 1.6329 1.3317 2.1726 C.3 1 UNL1 -0.4557 25 H 2.2657 1.4280 -2.1771 H 1 UNL1 0.3514 26 H 0.1036 1.9792 -3.2288 H 1 UNL1 0.3340 27 C 4.6800 -1.2677 0.3369 C.ar 1 UNL1 -0.1326 28 C -3.6248 -2.6182 0.2028 C.ar 1 UNL1 -0.1445 29 O 0.4212 3.1078 -1.5679 O.2 1 UNL1 -0.5057 30 O 3.3362 -2.4594 -1.2731 O.2 1 UNL1 -0.4834 31 O -1.8967 -3.4334 -1.2510 O.2 1 UNL1 -0.4976 32 O 2.3293 0.7273 -1.4734 O.3 1 UNL1 -0.5205 33 O 0.5092 1.0988 -3.3764 O.3 1 UNL1 -0.5451 34 C 3.4464 -1.7057 -0.3434 C.2 1 UNL1 0.6158 35 C -2.7334 -2.6129 -0.9713 C.2 1 UNL1 0.6154 36 O 2.3785 -1.1436 0.2937 O.3 1 UNL1 -0.4026 37 O -2.9861 -1.5273 -1.7480 O.3 1 UNL1 -0.4276 38 C 0.0513 -1.0147 0.6042 C.2 1 UNL1 -0.0080 39 C -0.4393 0.2312 0.7057 C.2 1 UNL1 -0.1757 40 C 0.2414 3.2957 1.3734 C.3 1 UNL1 -0.3064 41 C -0.2518 2.3183 -0.9460 C.2 1 UNL1 0.4964 42 C -1.3391 0.0983 -2.1831 C.2 1 UNL1 -0.1191 43 C -2.1474 1.0076 -1.6126 C.2 1 UNL1 -0.1153 44 H -3.0088 1.8802 0.6981 H 1 UNL1 0.1613 45 H -2.1290 3.1456 -1.6866 H 1 UNL1 0.1870 46 H -1.4459 2.5536 2.4962 H 1 UNL1 0.1559 47 H 1.0729 -1.9549 -1.1168 H 1 UNL1 0.1683 48 H -1.2551 0.5333 1.3333 H 1 UNL1 0.1597 49 H -3.2272 0.8232 -1.5602 H 1 UNL1 0.1685 50 H 0.5076 -0.7918 -2.9422 H 1 UNL1 0.1730 51 H 2.0526 2.5182 0.4180 H 1 UNL1 0.1589 52 H 0.6097 3.6850 2.3457 H 1 UNL1 0.1530 53 H 0.4098 4.1375 0.6702 H 1 UNL1 0.1578 54 H -1.2876 -1.9872 -2.8985 H 1 UNL1 0.1629 55 H -2.5786 -0.9661 -3.6293 H 1 UNL1 0.1532 56 H -1.0867 4.9507 -0.5500 H 1 UNL1 0.1659 57 H -2.7439 5.5478 -0.4334 H 1 UNL1 0.1523 58 H -1.5503 5.9998 0.7933 H 1 UNL1 0.1544 59 H -3.2515 5.1127 2.5660 H 1 UNL1 0.1522 60 H -4.3586 4.5661 1.2986 H 1 UNL1 0.1513 61 H -3.7616 3.4244 2.5078 H 1 UNL1 0.1463 62 H -1.2601 -2.0714 1.9447 H 1 UNL1 0.1512 63 H -0.5227 -3.0814 0.6874 H 1 UNL1 0.1776 64 H 0.4517 -2.5212 2.0507 H 1 UNL1 0.1708 65 H 2.1694 0.4155 1.8823 H 1 UNL1 0.1753 66 H 2.3183 1.9335 2.7781 H 1 UNL1 0.1399 67 H 0.8024 1.0241 2.8168 H 1 UNL1 0.1470 68 H 5.5500 -3.2438 0.3397 H 1 UNL1 0.1635 69 H 4.0381 0.7929 0.4213 H 1 UNL1 0.1839 70 H -3.4719 -4.7606 0.4315 H 1 UNL1 0.1712 71 H -3.9264 -0.4785 0.2061 H 1 UNL1 0.1681 72 H -5.3607 -0.5268 2.2405 H 1 UNL1 0.1562 73 H 7.6349 -2.4851 1.4741 H 1 UNL1 0.1522 74 H 6.1368 1.5476 1.5500 H 1 UNL1 0.1539 75 H -4.9196 -4.8014 2.4597 H 1 UNL1 0.1576 76 H -5.8526 -2.6860 3.3607 H 1 UNL1 0.1488 77 H 7.9211 -0.0963 2.0743 H 1 UNL1 0.1454 @BOND 1 55 20 1 2 33 26 1 3 33 8 1 4 50 8 1 5 54 20 1 6 20 42 1 7 20 37 1 8 8 42 1 9 8 2 1 10 42 43 2 11 25 32 1 12 37 35 1 13 45 6 1 14 43 49 1 15 43 6 1 16 29 41 2 17 32 2 1 18 30 34 2 19 31 35 2 20 2 7 1 21 2 1 1 22 47 7 1 23 6 41 1 24 6 3 1 25 35 28 1 26 41 1 1 27 56 21 1 28 57 21 1 29 7 36 1 30 7 38 1 31 34 36 1 32 34 27 1 33 1 39 1 34 1 9 1 35 21 58 1 36 21 4 1 37 28 13 ar 38 28 12 ar 39 71 13 1 40 27 10 ar 41 27 11 ar 42 68 10 1 43 3 44 1 44 3 4 1 45 3 5 1 46 51 9 1 47 69 11 1 48 70 12 1 49 38 39 2 50 38 23 1 51 10 15 ar 52 11 16 ar 53 53 40 1 54 63 23 1 55 13 14 ar 56 39 48 1 57 12 17 ar 58 9 40 1 59 9 24 1 60 4 5 1 61 4 22 1 62 15 73 1 63 15 19 ar 64 16 74 1 65 16 19 ar 66 60 22 1 67 23 62 1 68 23 64 1 69 40 5 1 70 40 52 1 71 5 46 1 72 19 77 1 73 14 72 1 74 14 18 ar 75 65 24 1 76 22 61 1 77 22 59 1 78 17 75 1 79 17 18 ar 80 24 66 1 81 24 67 1 82 18 76 1