@MOLECULE (6ar,8e,11as,18ar,19r,20ar)-4,16,19-trihydroxy-1,6a,10,10,13,18a-hexamethyl-6a,7,10,11,11a,18a,19,20,20a,21-decahydro-3h-dicyclohepta[e,e']cycloundeca[1,11-b:5,4-b']dipyran-3,15(12h)-dione 42 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4297 -0.2344 2.1321 O.3 1 UNL1 -0.1728 2 O 4.1483 1.0710 -1.3166 O.3 1 UNL1 -0.1064 3 O -1.5559 1.8349 3.2670 O.3 1 UNL1 -0.3521 4 O -2.5453 -3.9750 -0.7364 O.2 1 UNL1 -0.3614 5 O 7.5742 0.1330 -1.6304 O.2 1 UNL1 -0.0678 6 O -5.5729 -4.3004 -0.6905 O.2 1 UNL1 -0.3433 7 O 7.2005 -3.2436 1.2059 O.2 1 UNL1 -0.1726 8 C -2.7707 0.9533 1.7640 C.3 1 UNL1 -0.0357 9 C -3.0051 1.5378 0.4209 C.2 1 UNL1 -0.1076 10 C 0.9793 0.1477 1.2885 C.1 1 UNL1 0.0350 11 C -1.2878 0.9763 2.1910 C.3 1 UNL1 0.2247 12 C -0.1290 0.5462 1.7805 C.3 1 UNL1 -0.0633 13 C 2.9811 1.6375 -1.6729 C.3 1 UNL1 -0.2364 14 C -2.3143 2.5887 0.0417 C.1 1 UNL1 -0.1945 15 C -1.5721 3.5883 -0.4186 C.2 1 UNL1 0.2432 16 C -3.8738 0.8419 -0.4279 C.1 1 UNL1 0.0928 17 C 2.1027 -0.1895 0.7962 C.1 1 UNL1 -0.0027 18 C -2.8969 1.9665 3.0636 C.3 1 UNL1 0.5726 19 C 1.8000 2.2627 -1.4624 C.2 1 UNL1 -0.0447 20 C -4.5198 0.1092 -1.1605 C.1 1 UNL1 -0.1601 21 C 2.3707 2.2012 -2.8299 C.3 1 UNL1 0.2825 22 C -0.3717 3.1997 -1.2001 C.3 1 UNL1 0.0927 23 C -3.3215 -1.2312 1.2948 C.1 1 UNL1 0.1900 24 C 3.2902 -0.6025 0.3973 C.3 1 UNL1 -0.0459 25 C 0.7428 2.6659 -0.6426 C.2 1 UNL1 -0.3021 26 C -1.9427 6.1587 -0.1609 C.1 1 UNL1 0.1370 27 C -1.7614 4.9273 -0.2857 C.1 1 UNL1 -0.7772 28 C 4.2289 0.0646 -0.4789 C.3 1 UNL1 0.4563 29 C -5.0966 -0.8994 -1.8700 C.2 1 UNL1 -0.0384 30 C 3.9788 -1.8138 0.8812 C.2 1 UNL1 -0.4724 31 C -3.3358 -2.2099 0.5769 C.1 1 UNL1 -0.3039 32 C 5.5146 -0.5642 -0.4202 C.2 1 UNL1 -0.3422 33 C -5.2111 -2.2563 -1.7966 C.2 1 UNL1 -0.3779 34 C -5.7824 -1.6174 -2.9422 C.3 1 UNL1 0.2961 35 C -3.4408 -3.2632 -0.3666 C.2 1 UNL1 0.4243 36 C 5.3820 -1.7274 0.4651 C.2 1 UNL1 -0.1889 37 C 3.3617 -2.7981 1.5353 C.2 1 UNL1 0.5148 38 C -4.8601 -3.3753 -0.9672 C.2 1 UNL1 0.4149 39 C 6.6218 -0.1867 -1.0789 C.1 1 UNL1 0.5325 40 C 6.3560 -2.5282 0.8680 C.1 1 UNL1 0.4069 41 H -0.4602 3.3858 -2.2788 H 1 UNL1 0.1750 42 H 0.8337 2.5490 0.4384 H 1 UNL1 0.1790 @BOND 1 34 29 1 2 34 33 1 3 21 13 1 4 21 19 1 5 41 22 1 6 29 33 2 7 29 20 1 8 33 38 1 9 13 19 1 10 13 2 1 11 5 39 2 12 19 25 2 13 2 28 1 14 22 25 1 15 22 15 1 16 20 16 3 17 39 32 2 18 38 6 2 19 38 35 1 20 4 35 2 21 25 42 1 22 28 32 1 23 28 24 1 24 16 9 1 25 32 36 1 26 15 27 1 27 15 14 2 28 35 31 1 29 27 26 3 30 14 9 2 31 24 17 1 32 24 30 1 33 9 8 1 34 36 40 2 35 36 30 1 36 31 23 3 37 17 10 3 38 40 7 2 39 30 37 2 40 10 12 1 41 23 1 1 42 8 1 1 43 8 11 1 44 8 18 1 45 12 11 1 46 11 3 1 47 18 3 1