@MOLECULE (5r)-5-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]hexanoic acid 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4933 2.6268 1.9665 O.3 1 UNL1111111111 -0.5618 2 O 5.1864 1.0069 -3.2771 O.3 1 UNL1111111111 -0.5677 3 O -7.5563 1.5099 -0.6496 O.3 1 UNL1111111111 -0.5770 4 O -5.4092 2.0532 -0.8661 O.2 1 UNL1111111111 -0.5070 5 C 0.0470 0.4345 0.5658 C.3 1 UNL1111111111 -0.1295 6 C -0.6350 -0.9657 0.6628 C.3 1 UNL1111111111 0.0701 7 C 1.4992 0.3828 1.0379 C.3 1 UNL1111111111 -0.1920 8 C 2.2615 -0.5581 0.0692 C.3 1 UNL1111111111 -0.1238 9 C 3.7678 -0.6330 0.4246 C.3 1 UNL1111111111 0.0625 10 C -2.0945 -0.5894 0.2620 C.3 1 UNL1111111111 -0.1415 11 C 4.3819 0.7963 0.3970 C.3 1 UNL1111111111 -0.1072 12 C 0.1034 -1.8850 -0.3194 C.3 1 UNL1111111111 -0.2988 13 C 1.6001 -1.9501 0.0325 C.3 1 UNL1111111111 -0.2787 14 C 2.1261 1.7877 1.0209 C.3 1 UNL1111111111 0.1564 15 C -0.9286 1.3624 1.2992 C.3 1 UNL1111111111 -0.2680 16 C -2.3209 0.7831 0.9620 C.3 1 UNL1111111111 -0.2855 17 C 3.6271 1.7432 1.3380 C.3 1 UNL1111111111 -0.3484 18 C 4.5468 -1.5157 -0.5831 C.3 1 UNL1111111111 -0.2896 19 C -0.5981 -1.5576 2.0765 C.3 1 UNL1111111111 -0.4572 20 C -3.1941 -1.6013 0.6258 C.3 1 UNL1111111111 -0.0905 21 C 4.4128 1.3861 -1.0228 C.3 1 UNL1111111111 -0.3473 22 C 3.9883 -1.2502 1.8180 C.3 1 UNL1111111111 -0.4666 23 C 4.5537 -0.9409 -1.9991 C.3 1 UNL1111111111 -0.3335 24 C 5.1777 0.4599 -1.9753 C.3 1 UNL1111111111 0.1709 25 C -4.5970 -1.0532 0.2804 C.3 1 UNL1111111111 -0.2869 26 C -2.9775 -2.9503 -0.0717 C.3 1 UNL1111111111 -0.4546 27 C -4.7890 -0.7661 -1.2132 C.3 1 UNL1111111111 -0.2498 28 C -6.1775 -0.1819 -1.4934 C.3 1 UNL1111111111 -0.3506 29 C -6.2678 1.2205 -0.9853 C.2 1 UNL1111111111 0.6518 30 H 0.0517 0.7434 -0.5116 H 1 UNL1111111111 0.1361 31 H 1.5490 -0.0205 2.0732 H 1 UNL1111111111 0.1439 32 H 2.1784 -0.1232 -0.9584 H 1 UNL1111111111 0.1394 33 H -2.1131 -0.4362 -0.8415 H 1 UNL1111111111 0.1330 34 H 5.4381 0.7174 0.7574 H 1 UNL1111111111 0.1357 35 H -0.0272 -1.5226 -1.3550 H 1 UNL1111111111 0.1365 36 H -0.3226 -2.9033 -0.3009 H 1 UNL1111111111 0.1367 37 H 1.7279 -2.4566 1.0066 H 1 UNL1111111111 0.1399 38 H 2.1148 -2.5876 -0.7105 H 1 UNL1111111111 0.1340 39 H 1.9181 2.3246 0.0686 H 1 UNL1111111111 0.1418 40 H -0.8218 2.4093 0.9723 H 1 UNL1111111111 0.1518 41 H -0.7477 1.3674 2.3844 H 1 UNL1111111111 0.1334 42 H -2.9209 0.6704 1.8770 H 1 UNL1111111111 0.1327 43 H -2.8876 1.4616 0.3027 H 1 UNL1111111111 0.1488 44 H 3.7807 1.4376 2.3891 H 1 UNL1111111111 0.1437 45 H 4.0428 2.7675 1.2707 H 1 UNL1111111111 0.1552 46 H 4.1259 -2.5379 -0.5936 H 1 UNL1111111111 0.1400 47 H 5.5896 -1.6347 -0.2288 H 1 UNL1111111111 0.1398 48 H 0.4245 -1.6485 2.4562 H 1 UNL1111111111 0.1423 49 H -1.1532 -0.9311 2.7837 H 1 UNL1111111111 0.1495 50 H -1.0395 -2.5592 2.0977 H 1 UNL1111111111 0.1408 51 H -3.1714 -1.7708 1.7314 H 1 UNL1111111111 0.1353 52 H 3.3887 1.5573 -1.4008 H 1 UNL1111111111 0.1470 53 H 4.8928 2.3834 -1.0109 H 1 UNL1111111111 0.1538 54 H 5.0424 -1.2089 2.1117 H 1 UNL1111111111 0.1443 55 H 3.4138 -0.7294 2.5903 H 1 UNL1111111111 0.1471 56 H 3.6838 -2.3018 1.8419 H 1 UNL1111111111 0.1454 57 H 5.1286 -1.5946 -2.6816 H 1 UNL1111111111 0.1479 58 H 3.5312 -0.9050 -2.4155 H 1 UNL1111111111 0.1448 59 H 6.2636 0.4240 -1.7354 H 1 UNL1111111111 0.1376 60 H -5.3595 -1.7775 0.6240 H 1 UNL1111111111 0.1340 61 H -4.7805 -0.1280 0.8617 H 1 UNL1111111111 0.1459 62 H 1.4837 2.2225 2.8529 H 1 UNL1111111111 0.3096 63 H -2.1319 -3.4922 0.3666 H 1 UNL1111111111 0.1424 64 H -3.8578 -3.5944 0.0248 H 1 UNL1111111111 0.1413 65 H -2.7713 -2.8255 -1.1395 H 1 UNL1111111111 0.1430 66 H -4.0079 -0.0603 -1.5673 H 1 UNL1111111111 0.1611 67 H -4.6503 -1.6942 -1.7994 H 1 UNL1111111111 0.1432 68 H 4.2835 1.1159 -3.6267 H 1 UNL1111111111 0.3123 69 H -6.9729 -0.8159 -1.0447 H 1 UNL1111111111 0.1812 70 H -6.3871 -0.1824 -2.5856 H 1 UNL1111111111 0.1754 71 H -7.6859 2.4314 -0.3180 H 1 UNL1111111111 0.3547 @BOND 1 1 14 1 2 1 62 1 3 2 24 1 4 2 68 1 5 3 29 1 6 3 71 1 7 4 29 2 8 5 6 1 9 5 7 1 10 5 15 1 11 5 30 1 12 6 10 1 13 6 12 1 14 6 19 1 15 7 8 1 16 7 14 1 17 7 31 1 18 8 9 1 19 8 13 1 20 8 32 1 21 9 11 1 22 9 18 1 23 9 22 1 24 10 16 1 25 10 20 1 26 10 33 1 27 11 17 1 28 11 21 1 29 11 34 1 30 12 13 1 31 12 35 1 32 12 36 1 33 13 37 1 34 13 38 1 35 14 17 1 36 14 39 1 37 15 16 1 38 15 40 1 39 15 41 1 40 16 42 1 41 16 43 1 42 17 44 1 43 17 45 1 44 18 23 1 45 18 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 20 25 1 51 20 26 1 52 20 51 1 53 21 24 1 54 21 52 1 55 21 53 1 56 22 54 1 57 22 55 1 58 22 56 1 59 23 24 1 60 23 57 1 61 23 58 1 62 24 59 1 63 25 27 1 64 25 60 1 65 25 61 1 66 26 63 1 67 26 64 1 68 26 65 1 69 27 28 1 70 27 66 1 71 27 67 1 72 28 29 1 73 28 69 1 74 28 70 1