@MOLECULE (4as,4br,5s,6as,6bs,12as,13as,13bs)-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,7,12,12a,13,13a,13b,14,15-tetradecahydro-2h-benzo[5,6]indeno[2,1-a]phenanthren-2-one 67 72 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.7315 -0.5888 -0.7217 F 1 UNL1111111111 -0.2206 2 O -1.0067 2.8593 -0.7721 O.3 1 UNL1111111111 -0.5617 3 O 4.5707 1.6643 0.9407 O.2 1 UNL1111111111 -0.4588 4 O 4.5299 3.4385 -1.0572 O.3 1 UNL1111111111 -0.5205 5 O -6.4540 -1.0087 -0.9667 O.2 1 UNL1111111111 -0.4541 6 C 1.3807 0.9390 0.1241 C.3 1 UNL1111111111 0.0781 7 C 0.5816 -0.1290 0.9122 C.3 1 UNL1111111111 -0.1517 8 C 2.8136 0.2856 0.0682 C.3 1 UNL1111111111 -0.0791 9 C -0.8311 0.3342 1.2509 C.3 1 UNL1111111111 -0.1628 10 C 2.9232 -0.4958 1.4280 C.3 1 UNL1111111111 -0.0931 11 C 1.5129 -0.4846 2.0743 C.3 1 UNL1111111111 -0.2914 12 C -1.5945 0.5973 -0.0735 C.3 1 UNL1111111111 0.1747 13 C 0.6758 1.1578 -1.2169 C.3 1 UNL1111111111 -0.3623 14 C -0.8167 1.5065 -1.0812 C.3 1 UNL1111111111 0.1254 15 C 3.0498 -0.6336 -1.1495 C.3 1 UNL1111111111 -0.2942 16 C -3.0606 1.0756 0.2162 C.3 1 UNL1111111111 -0.0111 17 C 1.5017 2.2669 0.8891 C.3 1 UNL1111111111 -0.4805 18 C -1.5596 -0.7265 2.0883 C.3 1 UNL1111111111 -0.2649 19 C 3.4170 -1.9423 1.2419 C.3 1 UNL1111111111 -0.2969 20 C 3.8696 1.3777 0.0011 C.2 1 UNL1111111111 0.4121 21 C -3.0160 -0.3209 2.3477 C.3 1 UNL1111111111 -0.2968 22 C -3.7029 -0.0099 1.0544 C.2 1 UNL1111111111 0.0998 23 C 2.3648 -1.9524 -0.9878 C.ar 1 UNL1111111111 -0.0160 24 C 2.5730 -2.6325 0.2207 C.ar 1 UNL1111111111 0.0019 25 C -3.1299 2.3980 0.9970 C.3 1 UNL1111111111 -0.4431 26 C -3.7693 1.3099 -1.0909 C.2 1 UNL1111111111 -0.0846 27 C 4.0632 2.1342 -1.3044 C.3 1 UNL1111111111 -0.1114 28 C -4.8045 -0.6671 0.6693 C.2 1 UNL1111111111 -0.3423 29 C 1.5421 -2.4991 -1.9668 C.ar 1 UNL1111111111 -0.1648 30 C 1.9628 -3.8619 0.4431 C.ar 1 UNL1111111111 -0.1762 31 C -4.8636 0.6459 -1.4691 C.2 1 UNL1111111111 -0.2875 32 C -5.4655 -0.4020 -0.6185 C.2 1 UNL1111111111 0.4801 33 C 0.9230 -3.7280 -1.7358 C.ar 1 UNL1111111111 -0.1485 34 C 1.1345 -4.4073 -0.5387 C.ar 1 UNL1111111111 -0.1437 35 H 0.4964 -1.0490 0.2707 H 1 UNL1111111111 0.1739 36 H -0.7928 1.2833 1.8355 H 1 UNL1111111111 0.1509 37 H 3.6374 0.0318 2.1041 H 1 UNL1111111111 0.1636 38 H 1.2575 -1.4593 2.5184 H 1 UNL1111111111 0.1465 39 H 1.4533 0.2522 2.8905 H 1 UNL1111111111 0.1417 40 H 0.7523 0.2397 -1.8381 H 1 UNL1111111111 0.1685 41 H 1.1672 1.9654 -1.7951 H 1 UNL1111111111 0.1608 42 H -1.3002 1.4449 -2.0927 H 1 UNL1111111111 0.1561 43 H 4.1429 -0.8246 -1.2617 H 1 UNL1111111111 0.1585 44 H 2.7460 -0.1315 -2.0883 H 1 UNL1111111111 0.1517 45 H 1.9678 3.0510 0.2767 H 1 UNL1111111111 0.1625 46 H 0.5286 2.6439 1.2263 H 1 UNL1111111111 0.1415 47 H 2.1122 2.1606 1.7972 H 1 UNL1111111111 0.1691 48 H -1.0331 -0.8740 3.0503 H 1 UNL1111111111 0.1435 49 H -1.5267 -1.7145 1.5836 H 1 UNL1111111111 0.1600 50 H 3.4086 -2.4706 2.2146 H 1 UNL1111111111 0.1517 51 H 4.4804 -1.9419 0.9209 H 1 UNL1111111111 0.1568 52 H -3.0589 0.5572 3.0247 H 1 UNL1111111111 0.1544 53 H -3.5366 -1.1338 2.8953 H 1 UNL1111111111 0.1562 54 H -2.8513 3.2556 0.3670 H 1 UNL1111111111 0.1744 55 H -4.1537 2.5836 1.3496 H 1 UNL1111111111 0.1590 56 H -2.4722 2.4050 1.8704 H 1 UNL1111111111 0.1457 57 H -3.3322 2.0989 -1.7097 H 1 UNL1111111111 0.1632 58 H -0.4573 3.1423 -0.0086 H 1 UNL1111111111 0.3246 59 H 3.1218 2.2936 -1.8640 H 1 UNL1111111111 0.1626 60 H 4.7942 1.6140 -1.9547 H 1 UNL1111111111 0.1478 61 H -5.2683 -1.4466 1.2713 H 1 UNL1111111111 0.1786 62 H 1.3728 -1.9753 -2.9044 H 1 UNL1111111111 0.1519 63 H 2.1219 -4.3937 1.3780 H 1 UNL1111111111 0.1527 64 H -5.3749 0.8307 -2.4123 H 1 UNL1111111111 0.1768 65 H 0.2663 -4.1527 -2.4931 H 1 UNL1111111111 0.1549 66 H 0.6470 -5.3647 -0.3640 H 1 UNL1111111111 0.1528 67 H 5.1563 3.4365 -0.2923 H 1 UNL1111111111 0.3337 @BOND 1 1 12 1 2 2 14 1 3 2 58 1 4 3 20 2 5 4 27 1 6 4 67 1 7 5 32 2 8 6 7 1 9 6 8 1 10 6 13 1 11 6 17 1 12 7 9 1 13 7 11 1 14 7 35 1 15 8 10 1 16 8 15 1 17 8 20 1 18 9 12 1 19 9 18 1 20 9 36 1 21 10 11 1 22 10 19 1 23 10 37 1 24 11 38 1 25 11 39 1 26 12 14 1 27 12 16 1 28 13 14 1 29 13 40 1 30 13 41 1 31 14 42 1 32 15 23 1 33 15 43 1 34 15 44 1 35 16 22 1 36 16 25 1 37 16 26 1 38 17 45 1 39 17 46 1 40 17 47 1 41 18 21 1 42 18 48 1 43 18 49 1 44 19 24 1 45 19 50 1 46 19 51 1 47 20 27 1 48 21 22 1 49 21 52 1 50 21 53 1 51 22 28 2 52 23 24 ar 53 23 29 ar 54 24 30 ar 55 25 54 1 56 25 55 1 57 25 56 1 58 26 31 2 59 26 57 1 60 27 59 1 61 27 60 1 62 28 32 1 63 28 61 1 64 29 33 ar 65 29 62 1 66 30 34 ar 67 30 63 1 68 31 32 1 69 31 64 1 70 33 34 ar 71 33 65 1 72 34 66 1