@MOLECULE (5xi,7alpha,12beta,16beta,17xi,23s,25r)-7,12,23-trihydroxy-26,29-epoxy-16,23-cyclolanost-8-ene-3,11,15,26-tetrone 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3458 -1.7615 0.1557 O.3 1 UNL1 -0.2195 2 O 0.2513 3.8838 0.4028 O.2 1 UNL1 -0.4667 3 O 1.9191 -0.1520 2.4593 O.2 1 UNL1 -0.3358 4 O -1.4068 -0.4541 3.0210 O.2 1 UNL1 -0.3358 5 O 0.4392 1.5008 -1.8459 O.2 1 UNL1 -0.3493 6 O -1.1600 -1.3007 -1.6884 O.2 1 UNL1 -0.5014 7 O -6.3363 0.3013 -1.4078 O.2 1 UNL1 -0.4440 8 O 1.3456 -4.3407 -1.6037 O.3 2 UNL2 -0.2548 9 C 2.2792 2.6959 0.4068 C.ar 1 UNL1 -0.7065 10 C 2.9501 1.5143 -0.1038 C.ar 1 UNL1 0.1686 11 C 0.4918 -0.7137 0.6499 C.ar 1 UNL1 -0.6885 12 C 2.7515 0.2297 0.2950 C.ar 1 UNL1 -0.2069 13 C 3.9506 1.5654 -1.1722 C.2 1 UNL1 -0.7309 14 C 3.6483 -0.6369 -0.4868 C.3 1 UNL1 -0.3085 15 C 1.7413 -0.2251 1.2769 C.ar 1 UNL1 0.5152 16 C -0.6941 0.1148 0.8312 C.ar 1 UNL1 0.0546 17 C 4.4817 0.2118 -1.3704 C.3 1 UNL1 0.2507 18 C 0.9013 2.9205 0.0405 C.ar 1 UNL1 0.4536 19 C -2.0359 2.1643 0.1831 C.2 1 UNL1 -0.5598 20 C -0.8869 1.2601 0.1597 C.ar 1 UNL1 -0.0704 21 C 2.9018 3.5020 1.2784 C.2 1 UNL1 0.6450 22 C -3.9246 -1.1676 0.7233 C.1 1 UNL1 0.1097 23 C 0.4089 -1.8479 -0.0415 C.2 1 UNL1 0.5303 24 C -1.6562 -0.4602 1.8449 C.2 1 UNL1 0.4931 25 C 0.1773 1.8065 -0.7204 C.ar 1 UNL1 0.3730 26 C 3.5018 -2.1490 -0.7307 C.3 1 UNL1 0.4195 27 C -2.8599 -0.9479 1.2675 C.1 1 UNL1 -0.2533 28 C -5.1150 -1.1576 -0.0016 C.2 1 UNL1 -0.6441 29 C 4.3783 2.5272 -1.9748 C.2 1 UNL1 0.5870 30 C -3.2522 1.6244 -0.2315 C.1 1 UNL1 0.1548 31 C -1.9538 3.4611 0.5611 C.2 1 UNL1 0.6256 32 C 1.8726 -3.6807 0.6952 C.1 2 UNL2 -0.9264 33 C -4.2674 1.0361 -0.5548 C.1 1 UNL1 -0.2932 34 C -5.3400 0.1305 -0.7498 C.2 1 UNL1 0.6026 35 C -1.3351 -1.0099 -2.7801 C.2 1 UNL1 0.5135 36 C -6.0216 -2.1334 -0.0405 C.2 1 UNL1 0.5867 37 C 1.5870 -4.0135 -0.5242 C.1 2 UNL2 0.7014 38 C 2.1214 -3.5266 1.9449 C.3 2 UNL2 0.5109 @BOND 1 35 6 2 2 29 13 2 3 5 25 2 4 8 37 1 5 7 34 2 6 17 13 1 7 17 14 1 8 13 10 1 9 34 33 1 10 34 28 1 11 26 14 1 12 26 1 1 13 25 18 ar 14 25 20 ar 15 33 30 3 16 37 32 3 17 14 1 1 18 14 12 1 19 30 19 1 20 10 12 ar 21 10 9 ar 22 23 11 2 23 36 28 2 24 28 22 1 25 18 2 2 26 18 9 ar 27 20 19 1 28 20 16 ar 29 19 31 2 30 12 15 ar 31 9 21 2 32 11 16 ar 33 11 15 ar 34 32 38 1 35 22 27 3 36 16 24 1 37 27 24 1 38 15 3 2 39 24 4 2