@MOLECULE (6br,10s,12ar,14as)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4a(2h)-picenecarboxylic acid 33 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -7.0774 -1.1867 0.3022 O.2 1 UNL1 -0.3569 2 O 4.0006 0.9445 2.1348 O.2 1 UNL1 -0.0240 3 O 2.3870 -3.8228 -3.7845 O.3 1 UNL1 -0.2643 4 C -1.1536 -2.4749 0.2916 C.1 1 UNL1 0.0688 5 C -4.8133 3.0584 -0.5777 C.1 1 UNL1 -0.0098 6 C -3.9054 3.8703 -0.6920 C.1 1 UNL1 0.0102 7 C -5.5294 1.9273 -0.3766 C.1 1 UNL1 0.0331 8 C 1.4459 0.1933 -0.4909 C.2 1 UNL1 -0.0165 9 C 1.7122 -1.0558 -0.0959 C.2 1 UNL1 0.0544 10 C 1.6161 1.4384 -0.3146 C.1 1 UNL1 -0.0681 11 C -2.6684 4.4120 -0.7155 C.1 1 UNL1 -0.0008 12 C 0.1494 -2.9764 0.2998 C.3 1 UNL1 -0.2800 13 C -5.8778 0.7829 -0.1509 C.1 1 UNL1 -0.1367 14 C -1.4530 4.5313 -0.6347 C.1 1 UNL1 0.0043 15 C 0.4614 -4.0536 1.0065 C.1 1 UNL1 0.4841 16 C 2.7088 -0.8710 0.8942 C.2 1 UNL1 -0.1443 17 C -3.5913 -1.6435 0.2527 C.1 1 UNL1 0.1026 18 C 1.8543 2.6702 0.1212 C.2 1 UNL1 0.1085 19 C -6.0270 -0.6151 0.1387 C.2 1 UNL1 0.5304 20 C -2.3108 -2.0893 0.2793 C.1 1 UNL1 -0.1001 21 C 1.1704 -2.3334 -0.5622 C.3 1 UNL1 0.3763 22 C -4.7336 -1.2233 0.2132 C.1 1 UNL1 -0.2039 23 C 2.0099 -3.3693 -2.7825 C.1 1 UNL1 0.5519 24 C 1.5890 -2.8777 -1.6750 C.1 1 UNL1 -0.5387 25 C -0.1471 4.2382 -0.4478 C.1 1 UNL1 -0.0064 26 C 2.9735 2.9752 1.0075 C.2 1 UNL1 -0.6739 27 C 3.8006 2.1607 1.8600 C.2 1 UNL1 0.2056 28 C 12.2253 2.1273 -1.6046 C.3 2 UNL2 0.0000 29 C 0.7590 -5.0813 1.6930 C.1 1 UNL1 -0.7273 30 C 1.0576 -6.1273 2.3952 C.3 1 UNL1 0.5117 31 C 3.3659 -0.0875 1.5588 C.3 1 UNL1 -0.0316 32 C 3.3415 4.2670 1.1055 C.3 1 UNL1 0.6257 33 C 0.8889 3.6416 -0.2011 C.1 1 UNL1 -0.0841 @BOND 1 3 23 1 2 23 24 3 3 24 21 1 4 11 6 1 5 11 14 3 6 6 5 3 7 14 25 1 8 5 7 1 9 21 9 1 10 21 12 1 11 8 10 2 12 8 9 1 13 25 33 3 14 7 13 3 15 10 18 2 16 33 18 1 17 13 19 1 18 9 16 2 19 18 26 1 20 19 22 1 21 19 1 2 22 22 17 3 23 17 20 1 24 20 4 3 25 4 12 1 26 12 15 1 27 16 31 1 28 15 29 3 29 26 32 1 30 26 27 2 31 31 2 1 32 29 30 1 33 27 2 1