@MOLECULE (3alpha,4alpha,8alpha,9beta,13alpha,14beta,16beta,17e)-3-hydroxy-4,14-dimethyl-11-oxo-16-(propionyloxy)-18-norcholesta-17,24-dien-21-oic acid 37 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9325 -2.6455 1.1308 O.2 1 UNL1 -0.3166 2 C 1.5480 -1.5064 1.0966 C.2 1 UNL1 0.3443 3 C 2.2952 -0.4408 0.4030 C.ar 1 UNL1 -0.1432 4 C 1.6738 0.8504 0.4130 C.ar 1 UNL1 -0.0756 5 C 0.3514 1.1056 0.6219 C.3 1 UNL1 0.0739 6 C 1.2337 3.0369 -0.4807 C.3 1 UNL1 0.2298 7 C -0.5340 0.0144 1.0450 C.3 1 UNL1 -0.0391 8 C -1.9877 0.2154 1.2704 C.2 1 UNL1 -0.2751 9 C -2.4570 -0.9537 -0.8372 C.2 1 UNL1 -0.2131 10 C -2.1430 -1.6240 -1.9745 C.1 1 UNL1 0.6064 11 O -1.8957 -2.1858 -2.9388 O.2 1 UNL1 -0.0901 12 O -0.1199 -1.5571 2.8048 O.2 1 UNL1 -0.2736 13 C -3.8401 -0.6923 -0.4929 C.2 1 UNL1 -0.3247 14 C -5.0277 -1.0282 -1.1821 C.3 1 UNL1 0.0406 15 C -6.0875 -0.5339 -0.3167 C.3 1 UNL1 -0.1322 16 C -7.3816 0.0489 -0.7127 C.2 1 UNL1 -0.8555 17 C -7.4263 -1.1958 0.0072 C.3 1 UNL1 0.5206 18 C -8.0283 1.0181 -1.3006 C.2 1 UNL1 0.5923 19 C -1.0774 3.1420 0.3101 C.1 1 UNL1 0.6218 20 O -2.0353 3.7678 0.4076 O.2 1 UNL1 -0.1655 21 C -4.1654 -0.0042 0.7015 C.2 1 UNL1 0.1908 22 O -5.4856 0.1504 0.8385 O.2 1 UNL1 -0.2247 23 C -3.2450 0.5364 1.7428 C.3 1 UNL1 0.1063 24 C -1.6120 -0.4525 0.1217 C.2 1 UNL1 0.0396 25 C 0.0533 2.4514 0.1617 C.2 1 UNL1 -0.5115 26 C 0.2390 -1.0710 1.7760 C.2 1 UNL1 0.3435 27 C 2.2535 1.9918 -0.3825 C.ar 1 UNL1 -0.2193 28 C 3.4331 1.5782 -0.7845 C.ar 1 UNL1 0.0897 29 C 4.2537 0.5161 -0.6891 C.ar 1 UNL1 -0.0232 30 C 5.6944 0.7009 -0.8001 C.2 1 UNL1 -0.6444 31 C 6.7726 -0.1696 -0.2319 C.2 1 UNL1 0.5446 32 O 7.8712 0.2375 0.0377 O.2 1 UNL1 -0.3876 33 C 6.2246 -1.4756 -0.1103 C.3 1 UNL1 -0.1070 34 C 5.1868 -2.1323 -0.1094 C.3 1 UNL1 -0.1214 35 C 3.4506 -0.6803 -0.2900 C.ar 1 UNL1 -0.0912 36 C 3.8705 -2.0664 -0.5622 C.3 1 UNL1 0.3018 37 C 6.1226 1.7946 -1.4514 C.2 1 UNL1 0.5884 @BOND 1 11 10 2 2 10 9 2 3 37 30 2 4 18 16 2 5 14 13 1 6 14 15 1 7 9 13 1 8 9 24 1 9 30 29 1 10 30 31 1 11 28 29 ar 12 28 27 ar 13 16 15 1 14 16 17 1 15 29 35 ar 16 36 35 1 17 36 34 1 18 13 21 2 19 6 27 1 20 6 25 1 21 27 4 ar 22 15 17 1 23 15 22 1 24 35 3 ar 25 31 33 1 26 31 32 2 27 33 34 1 28 24 7 1 29 24 8 2 30 25 19 2 31 25 5 1 32 19 20 2 33 3 4 ar 34 3 2 1 35 4 5 1 36 5 7 1 37 21 22 1 38 21 23 1 39 7 8 1 40 7 26 1 41 2 1 2 42 2 26 1 43 8 23 1 44 26 12 2