@MOLECULE (2as,3z,6s,6as,6br,7s,9s,10r,10as,10bs,10cs,11as)-6a,7,10b-triacetoxy-9-hydroxy-4,6b,10,11a-tetramethyl-1-oxo-1,5,6,6a,6b,7,8,9,10,10a,10b,11a-dodecahydro-2ah-benzo[3',4']cyclobuta[1',2':3,4]cycloocta[1,2-b]oxireno[c]furan-6-yl butanoate 43 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6432 0.2022 -0.5734 C.1 1 UNL1 -0.4579 2 C 7.0448 0.1768 2.5914 C.2 1 UNL1 0.4746 3 C 3.1776 -1.7137 -0.7535 C.2 1 UNL1 -0.2559 4 C 5.7753 0.7604 -0.8257 C.1 1 UNL1 0.5437 5 C -1.0564 1.7301 -0.7875 C.3 1 UNL1 -0.3890 6 C -1.0304 0.6486 -1.7594 C.3 1 UNL1 0.1781 7 C -2.5372 -1.5892 2.6482 C.2 1 UNL1 -0.4910 8 C -2.0521 -2.6453 1.7987 C.2 1 UNL1 -0.0785 9 C -2.7764 -0.2935 2.0492 C.3 1 UNL1 0.0800 10 C -1.6800 0.4871 1.4809 C.3 1 UNL1 0.0276 11 C -1.9978 0.9623 0.1237 C.3 1 UNL1 0.2775 12 C -1.8047 -0.3402 -0.8671 C.3 1 UNL1 0.0715 13 O -3.2435 1.5812 -0.0273 O.3 1 UNL1 -0.3860 14 C -4.3262 1.2346 0.7979 C.2 1 UNL1 0.5689 15 O -5.3539 1.8011 0.5745 O.2 1 UNL1 -0.3419 16 C -3.9447 0.2348 1.7395 C.3 1 UNL1 -0.1170 17 C -0.6145 2.9658 -0.7570 C.3 1 UNL1 0.5069 18 O 6.7856 1.2789 -1.0726 O.3 1 UNL1 -0.2376 19 C 0.2890 5.3520 -0.6090 C.1 1 UNL1 0.6287 20 O 0.6904 6.4319 -0.5250 O.3 1 UNL1 -0.2157 21 C -0.1621 4.1437 -0.7012 C.1 1 UNL1 -0.5704 22 C -1.4802 -2.5677 0.5565 C.2 1 UNL1 0.1227 23 C -1.1234 -1.5277 -0.3390 C.3 1 UNL1 0.0166 24 C 0.7823 -2.7516 -0.8529 C.3 1 UNL1 -0.0113 25 C 0.0792 -4.0004 -0.5588 C.2 1 UNL1 0.5506 26 O -1.1103 -3.8435 0.1232 O.3 1 UNL1 -0.3609 27 O 0.4013 -5.1219 -0.8268 O.2 1 UNL1 -0.3504 28 C 2.1512 -2.5948 -0.9431 C.2 1 UNL1 -0.1832 29 O -2.9396 -0.6877 -1.6390 O.2 1 UNL1 -0.2531 30 C 3.5269 -3.0421 -1.1864 C.3 1 UNL1 0.3240 31 O -0.4748 0.3664 2.0070 O.3 1 UNL1 -0.3092 32 C 0.4773 1.3834 1.6982 C.2 1 UNL1 0.6398 33 C 1.5880 0.7891 1.0598 C.1 1 UNL1 -0.2069 34 O 0.2548 2.5114 2.0175 O.2 1 UNL1 -0.3509 35 C 2.4811 0.2575 0.4318 C.1 1 UNL1 0.0842 36 C 3.5001 -0.3940 -0.3198 C.3 1 UNL1 0.2856 37 O 6.6326 0.2708 1.5313 O.2 1 UNL1 -0.4719 38 C -2.7817 -1.7815 3.9471 C.2 1 UNL1 0.4991 39 O 0.0823 -1.6096 -0.9673 O.3 1 UNL1 -0.0523 40 C -2.6989 -0.1831 -2.9158 C.2 1 UNL1 -0.1617 41 O -1.5637 0.6487 -2.9919 O.2 1 UNL1 -0.1783 42 C -3.4854 -0.4288 -3.9673 C.2 1 UNL1 0.3726 43 H -2.1274 -3.6613 2.2250 H 1 UNL1 0.1781 @BOND 1 42 40 2 2 41 40 1 3 41 6 1 4 40 29 1 5 6 12 1 6 6 5 1 7 29 12 1 8 30 28 1 9 30 3 1 10 18 4 1 11 39 24 1 12 39 23 1 13 28 24 1 14 28 3 2 15 12 23 1 16 12 11 1 17 24 25 1 18 27 25 2 19 4 1 3 20 5 17 1 21 5 11 1 22 17 21 1 23 3 36 1 24 21 19 3 25 19 20 1 26 1 36 1 27 25 26 1 28 23 22 1 29 36 35 1 30 13 11 1 31 13 14 1 32 26 22 1 33 11 10 1 34 35 33 3 35 22 8 2 36 15 14 2 37 14 16 1 38 33 32 1 39 10 31 1 40 10 9 1 41 37 2 2 42 32 31 1 43 32 34 2 44 16 9 1 45 8 43 1 46 8 7 1 47 9 7 1 48 7 38 2