@MOLECULE (1alpha,2alpha,5alpha,7beta,13alpha,17alpha)-17-(3-furyl)-7-hydroxy-4,4,8-trimethyl-1,2-epoxyandrost-14-en-3-one 64 69 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.5490 -2.3134 1.0106 O.3 1 UNL111111111 -0.3138 2 O -0.4832 3.3338 0.5878 O.3 1 UNL111111111 -0.5572 3 O -5.8506 -1.5401 0.0865 O.2 1 UNL111111111 -0.4424 4 O 6.4906 -1.2139 1.2563 O.2 1 UNL111111111 -0.1757 5 C -2.0159 -0.4966 -0.6254 C.3 1 UNL111111111 0.0349 6 C -0.4777 -0.2884 -0.4852 C.3 1 UNL111111111 -0.1399 7 C -2.7043 0.3282 0.5028 C.3 1 UNL111111111 -0.1331 8 C -0.0086 1.1909 -0.4975 C.3 1 UNL111111111 0.0162 9 C -2.3063 -1.9743 -0.3554 C.3 1 UNL111111111 -0.0016 10 C -4.2406 0.1425 0.6154 C.3 1 UNL111111111 0.0027 11 C -3.6653 -2.3618 0.1195 C.3 1 UNL111111111 -0.1280 12 C -0.8088 1.9632 0.5852 C.3 1 UNL111111111 0.1406 13 C -2.3234 1.8063 0.4025 C.3 1 UNL111111111 -0.3392 14 C 0.3312 -1.1323 -1.4892 C.3 1 UNL111111111 -0.2690 15 C 2.2964 -0.0276 -0.2624 C.3 1 UNL111111111 0.0823 16 C 1.4485 1.2281 -0.1507 C.2 1 UNL111111111 -0.0653 17 C 1.8479 -0.8510 -1.4736 C.3 1 UNL111111111 -0.2938 18 C -2.5627 -0.1983 -2.0204 C.3 1 UNL111111111 -0.4589 19 C -4.6882 -1.2745 0.2654 C.2 1 UNL111111111 0.4372 20 C -0.1539 1.8710 -1.8687 C.3 1 UNL111111111 -0.4502 21 C 3.7421 0.5788 -0.4606 C.3 1 UNL111111111 -0.1239 22 C 2.1887 2.3011 0.1625 C.2 1 UNL111111111 -0.1706 23 C -5.0420 1.1089 -0.2634 C.3 1 UNL111111111 -0.4549 24 C -4.6568 0.3381 2.0864 C.3 1 UNL111111111 -0.4551 25 C 3.6528 1.9701 0.2323 C.3 1 UNL111111111 -0.2804 26 C 2.2483 -0.8473 1.0296 C.3 1 UNL111111111 -0.4545 27 C 4.8240 -0.2859 0.0421 C.ar 1 UNL111111111 -0.0738 28 C 5.2936 -1.4757 -0.6380 C.ar 1 UNL111111111 -0.2578 29 C 5.5816 -0.1760 1.1781 C.ar 1 UNL111111111 -0.0546 30 C 6.2925 -1.9935 0.1368 C.ar 1 UNL111111111 -0.0132 31 H -0.2281 -0.6788 0.5446 H 1 UNL111111111 0.1567 32 H -2.2716 -0.0614 1.4698 H 1 UNL111111111 0.1641 33 H -1.6956 -2.6970 -0.9020 H 1 UNL111111111 0.1599 34 H -4.0744 -3.3634 -0.0446 H 1 UNL111111111 0.1786 35 H -0.4834 1.6530 1.6063 H 1 UNL111111111 0.1488 36 H -2.6445 2.2405 -0.5601 H 1 UNL111111111 0.1474 37 H -2.8419 2.3976 1.1834 H 1 UNL111111111 0.1587 38 H -0.0515 -0.9704 -2.5141 H 1 UNL111111111 0.1364 39 H 0.1722 -2.2062 -1.2713 H 1 UNL111111111 0.1345 40 H 2.4059 -1.8053 -1.5015 H 1 UNL111111111 0.1419 41 H 2.1251 -0.3154 -2.4022 H 1 UNL111111111 0.1374 42 H -3.5866 -0.5749 -2.1423 H 1 UNL111111111 0.1523 43 H -2.5889 0.8777 -2.2268 H 1 UNL111111111 0.1554 44 H -1.9551 -0.6629 -2.8058 H 1 UNL111111111 0.1510 45 H 0.2861 1.2527 -2.6600 H 1 UNL111111111 0.1553 46 H -1.1986 2.0536 -2.1337 H 1 UNL111111111 0.1430 47 H 0.3755 2.8317 -1.8915 H 1 UNL111111111 0.1471 48 H 3.8995 0.7513 -1.5548 H 1 UNL111111111 0.1484 49 H 1.8464 3.3048 0.3434 H 1 UNL111111111 0.1656 50 H -6.1135 0.8554 -0.2486 H 1 UNL111111111 0.1678 51 H -4.9571 2.1425 0.0888 H 1 UNL111111111 0.1511 52 H -4.7217 1.0829 -1.3087 H 1 UNL111111111 0.1478 53 H -5.7427 0.2322 2.2077 H 1 UNL111111111 0.1605 54 H -4.1799 -0.3982 2.7451 H 1 UNL111111111 0.1555 55 H -4.3826 1.3346 2.4490 H 1 UNL111111111 0.1548 56 H 4.2791 2.7169 -0.2800 H 1 UNL111111111 0.1456 57 H 3.9973 1.9337 1.2801 H 1 UNL111111111 0.1500 58 H 2.9160 -1.7156 0.9725 H 1 UNL111111111 0.1547 59 H 2.5623 -0.2431 1.8890 H 1 UNL111111111 0.1531 60 H 1.2438 -1.2284 1.2443 H 1 UNL111111111 0.1478 61 H -0.6893 3.7529 -0.2693 H 1 UNL111111111 0.3123 62 H 4.9076 -1.8421 -1.5637 H 1 UNL111111111 0.1679 63 H 5.6428 0.4982 1.9977 H 1 UNL111111111 0.1723 64 H 6.9424 -2.8347 0.0858 H 1 UNL111111111 0.1694 @BOND 1 44 18 1 2 45 20 1 3 38 14 1 4 41 17 1 5 43 18 1 6 42 18 1 7 46 20 1 8 18 5 1 9 47 20 1 10 20 8 1 11 62 28 1 12 48 21 1 13 40 17 1 14 14 17 1 15 14 39 1 16 14 6 1 17 17 15 1 18 52 23 1 19 33 9 1 20 28 27 ar 21 28 30 ar 22 5 6 1 23 5 9 1 24 5 7 1 25 36 13 1 26 8 6 1 27 8 16 1 28 8 12 1 29 6 31 1 30 21 15 1 31 21 27 1 32 21 25 1 33 9 11 1 34 9 1 1 35 56 25 1 36 61 2 1 37 23 50 1 38 23 51 1 39 23 10 1 40 15 16 1 41 15 26 1 42 16 22 2 43 34 11 1 44 27 29 ar 45 64 30 1 46 3 19 2 47 11 19 1 48 11 1 1 49 30 4 ar 50 22 25 1 51 22 49 1 52 25 57 1 53 19 10 1 54 13 7 1 55 13 12 1 56 13 37 1 57 7 10 1 58 7 32 1 59 12 2 1 60 12 35 1 61 10 24 1 62 58 26 1 63 26 60 1 64 26 59 1 65 29 4 ar 66 29 63 1 67 24 53 1 68 24 55 1 69 24 54 1