@MOLECULE (3beta)-3-(alpha-l-arabinofuranosyloxy)-20-oxopregna-4,6-dien-17-yl acetate 76 80 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1695 -1.2728 -0.6184 O.3 1 UNL11 -0.4551 2 O -7.0600 0.8174 1.4900 O.2 1 UNL11 -0.4478 3 O 4.4252 0.6566 -0.2640 O.3 1 UNL11 -0.4778 4 O -7.2712 -1.3647 -1.4194 O.2 1 UNL11 -0.5056 5 O 5.8035 -1.1635 -0.5918 O.3 1 UNL11 -0.4735 6 O 7.6289 0.9624 -1.7330 O.3 1 UNL11 -0.5156 7 O 6.6265 1.0460 1.7063 O.3 1 UNL11 -0.5289 8 O 7.2594 -3.4052 0.4383 O.3 1 UNL11 -0.5312 9 C -3.9726 0.2965 0.6532 C.3 1 UNL11 0.0624 10 C -3.2535 0.8391 -0.6160 C.3 1 UNL11 -0.1321 11 C -1.8769 1.3888 -0.2473 C.3 1 UNL11 -0.1381 12 C -1.0396 0.1981 0.2960 C.3 1 UNL11 -0.1302 13 C -5.3789 -0.0287 0.0452 C.3 1 UNL11 0.1477 14 C -3.1699 -0.8945 1.1822 C.3 1 UNL11 -0.2887 15 C -4.2842 1.7874 -1.2455 C.3 1 UNL11 -0.2753 16 C 0.4132 0.6713 0.5877 C.3 1 UNL11 0.0567 17 C -1.7297 -0.4516 1.5079 C.3 1 UNL11 -0.2754 18 C -5.6428 1.1027 -0.9707 C.3 1 UNL11 -0.3082 19 C -4.1643 1.3387 1.7593 C.3 1 UNL11 -0.4673 20 C -1.1870 2.0363 -1.4030 C.2 1 UNL11 -0.1345 21 C 1.0027 1.1388 -0.7295 C.2 1 UNL11 0.0159 22 C 1.2352 -0.5044 1.1647 C.3 1 UNL11 -0.2844 23 C -6.4742 -0.1620 1.1022 C.2 1 UNL11 0.4637 24 C 0.4513 1.8503 1.5730 C.3 1 UNL11 -0.4522 25 C 0.1353 1.9391 -1.5927 C.2 1 UNL11 -0.2022 26 C 2.7373 -0.2168 1.1222 C.3 1 UNL11 -0.3019 27 C 2.2492 0.8384 -1.1208 C.2 1 UNL11 -0.2477 28 C 3.1737 -0.0365 -0.3364 C.3 1 UNL11 0.1484 29 C -6.7548 -1.5232 1.6504 C.3 1 UNL11 -0.5462 30 C -6.1587 -1.8186 -1.3699 C.2 1 UNL11 0.6313 31 C 5.4571 0.1297 -1.0475 C.3 1 UNL11 0.2680 32 C -5.6316 -3.0267 -2.0662 C.3 1 UNL11 -0.5111 33 C 6.6759 1.0261 -0.7132 C.3 1 UNL11 0.0415 34 C 7.1876 0.3868 0.6051 C.3 1 UNL11 0.0591 35 C 6.6738 -1.0718 0.5423 C.3 1 UNL11 0.0072 36 C 7.7799 -2.1017 0.3036 C.3 1 UNL11 -0.0315 37 H -3.1040 -0.0167 -1.3254 H 1 UNL11 0.1506 38 H -1.9885 2.1621 0.5577 H 1 UNL11 0.1616 39 H -0.9774 -0.5723 -0.5139 H 1 UNL11 0.1427 40 H -3.6450 -1.3207 2.0832 H 1 UNL11 0.1387 41 H -3.1502 -1.7106 0.4345 H 1 UNL11 0.1511 42 H -4.2429 2.7896 -0.7885 H 1 UNL11 0.1450 43 H -4.1115 1.9262 -2.3229 H 1 UNL11 0.1381 44 H -1.1542 -1.3351 1.8417 H 1 UNL11 0.1362 45 H -1.7350 0.2468 2.3646 H 1 UNL11 0.1437 46 H -6.0921 0.7104 -1.8975 H 1 UNL11 0.1608 47 H -6.3792 1.8243 -0.5669 H 1 UNL11 0.1747 48 H -3.2149 1.7914 2.0648 H 1 UNL11 0.1535 49 H -4.8265 2.1567 1.4435 H 1 UNL11 0.1672 50 H -4.6118 0.8947 2.6565 H 1 UNL11 0.1523 51 H -1.8233 2.6166 -2.0680 H 1 UNL11 0.1488 52 H 1.0160 -1.4281 0.5960 H 1 UNL11 0.1423 53 H 0.9246 -0.7029 2.2075 H 1 UNL11 0.1449 54 H -0.0438 1.6024 2.5163 H 1 UNL11 0.1448 55 H -0.0351 2.7403 1.1573 H 1 UNL11 0.1517 56 H 1.4848 2.1389 1.8017 H 1 UNL11 0.1538 57 H 0.6256 2.4464 -2.4244 H 1 UNL11 0.1538 58 H 3.3085 -1.0343 1.5976 H 1 UNL11 0.1453 59 H 2.9798 0.6968 1.6999 H 1 UNL11 0.1571 60 H 2.6714 1.2183 -2.0483 H 1 UNL11 0.1572 61 H 3.3035 -1.0246 -0.8372 H 1 UNL11 0.1360 62 H -7.5359 -2.0160 1.0454 H 1 UNL11 0.1930 63 H -7.1447 -1.4674 2.6779 H 1 UNL11 0.1808 64 H -5.8714 -2.1724 1.6492 H 1 UNL11 0.1705 65 H 5.1785 0.0075 -2.1062 H 1 UNL11 0.1443 66 H -6.4557 -3.6413 -2.4615 H 1 UNL11 0.1856 67 H -5.0207 -3.6562 -1.4015 H 1 UNL11 0.1839 68 H -4.9900 -2.7398 -2.9151 H 1 UNL11 0.1871 69 H 6.4420 2.1060 -0.6195 H 1 UNL11 0.1844 70 H 8.2785 0.4926 0.7548 H 1 UNL11 0.1655 71 H 6.0607 -1.3343 1.4322 H 1 UNL11 0.1648 72 H 8.2407 -1.9990 -0.6944 H 1 UNL11 0.1213 73 H 8.5621 -2.0568 1.0866 H 1 UNL11 0.1530 74 H 7.8608 0.0300 -1.9399 H 1 UNL11 0.3166 75 H 5.6455 1.1141 1.5943 H 1 UNL11 0.3348 76 H 6.4949 -3.5245 -0.1669 H 1 UNL11 0.3227 @BOND 1 1 13 1 2 1 30 1 3 2 23 2 4 3 28 1 5 3 31 1 6 4 30 2 7 5 31 1 8 5 35 1 9 6 33 1 10 6 74 1 11 7 34 1 12 7 75 1 13 8 36 1 14 8 76 1 15 9 10 1 16 9 13 1 17 9 14 1 18 9 19 1 19 10 11 1 20 10 15 1 21 10 37 1 22 11 12 1 23 11 20 1 24 11 38 1 25 12 16 1 26 12 17 1 27 12 39 1 28 13 18 1 29 13 23 1 30 14 17 1 31 14 40 1 32 14 41 1 33 15 18 1 34 15 42 1 35 15 43 1 36 16 21 1 37 16 22 1 38 16 24 1 39 17 44 1 40 17 45 1 41 18 46 1 42 18 47 1 43 19 48 1 44 19 49 1 45 19 50 1 46 20 25 2 47 20 51 1 48 21 25 1 49 21 27 2 50 22 26 1 51 22 52 1 52 22 53 1 53 23 29 1 54 24 54 1 55 24 55 1 56 24 56 1 57 25 57 1 58 26 28 1 59 26 58 1 60 26 59 1 61 27 28 1 62 27 60 1 63 28 61 1 64 29 62 1 65 29 63 1 66 29 64 1 67 30 32 1 68 31 33 1 69 31 65 1 70 32 66 1 71 32 67 1 72 32 68 1 73 33 34 1 74 33 69 1 75 34 35 1 76 34 70 1 77 35 36 1 78 35 71 1 79 36 72 1 80 36 73 1