@MOLECULE (4beta,5beta,6beta,16alpha,17alpha)-17-{(1r)-1-[(2r)-4,5-dimethyl-6-oxo-3,6-dihydro-2h-pyran-2-yl]ethyl}-4-hydroxy-5,6:16,17-diepoxyandrost-2-en-1-one 70 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4065 0.5971 0.1841 C.3 1 UNL1 0.0489 2 C -1.7539 0.6826 0.9204 C.3 1 UNL1 0.1152 3 C 0.4409 -0.2740 1.1638 C.3 1 UNL1 -0.1377 4 C 1.7477 -0.7239 0.5176 C.3 1 UNL1 -0.1018 5 C -1.8497 -0.5441 1.7906 C.3 1 UNL1 0.0291 6 C 2.5607 0.5461 0.1495 C.3 1 UNL1 -0.1201 7 C 4.5691 -1.0093 0.0067 C.3 1 UNL1 0.0937 8 C 3.8464 0.1633 -0.6448 C.3 1 UNL1 -0.0446 9 C 3.9254 -1.8728 1.0450 C.3 1 UNL1 -0.0068 10 C -2.8773 1.4771 0.3076 C.3 1 UNL1 -0.1355 11 C 6.0953 -0.9264 0.0043 C.3 1 UNL1 0.1029 12 C -4.2060 0.6946 0.3464 C.3 1 UNL1 0.1311 13 C -0.6941 -0.0924 -1.1567 C.3 1 UNL1 -0.4590 14 C 3.5756 -0.2273 -2.1001 C.3 1 UNL1 -0.4386 15 C -3.0253 2.8017 1.0601 C.3 1 UNL1 -0.4419 16 C -7.7849 1.0194 -0.8602 C.3 1 UNL1 -0.4627 17 C -7.2893 -1.9381 -0.8329 C.3 1 UNL1 -0.4233 18 H 7.3712 -0.5280 -1.4662 H 1 UNL1 0.3145 19 O 4.5514 2.3334 -1.3903 O.2 1 UNL1 -0.4349 20 O -4.4815 -2.5527 -0.8536 O.2 1 UNL1 -0.4483 21 C -0.5499 -1.3352 1.6900 C.3 1 UNL1 -0.3083 22 C 0.3635 1.9005 -0.0129 C.3 1 UNL1 -0.2878 23 C 2.5320 -1.5849 1.5224 C.3 1 UNL1 -0.3118 24 C 1.7309 1.5823 -0.6394 C.3 1 UNL1 -0.2787 25 C -5.2922 1.3522 -0.5126 C.3 1 UNL1 -0.3647 26 O 6.4738 -0.9054 -1.3621 O.3 1 UNL1 -0.5230 27 C 4.7353 1.4138 -0.6338 C.2 1 UNL1 0.4566 28 C -6.4403 0.4118 -0.6889 C.2 1 UNL1 0.0958 29 C -4.8480 -1.4373 -0.5840 C.2 1 UNL1 0.6029 30 C -6.2224 -0.9149 -0.6913 C.2 1 UNL1 -0.1890 31 O -1.6493 0.7627 2.3479 O.3 1 UNL1 -0.3895 32 O 4.0557 -2.3026 -0.3126 O.3 1 UNL1 -0.3176 33 O -3.8584 -0.5878 -0.1705 O.3 1 UNL1 -0.4366 34 C 6.4986 0.3577 0.6791 C.2 1 UNL1 -0.1803 35 C 5.8308 1.4709 0.3718 C.2 1 UNL1 -0.2325 36 H 0.7064 0.3748 2.0433 H 1 UNL1 0.1528 37 H 1.5556 -1.3256 -0.4010 H 1 UNL1 0.1612 38 H -2.7627 -1.0487 2.0708 H 1 UNL1 0.1566 39 H 2.8802 1.0250 1.1085 H 1 UNL1 0.1363 40 H -0.6620 -2.1826 0.9923 H 1 UNL1 0.1628 41 H -0.2399 -1.7474 2.6610 H 1 UNL1 0.1471 42 H -0.1944 2.5972 -0.6637 H 1 UNL1 0.1371 43 H 0.4877 2.4253 0.9522 H 1 UNL1 0.1426 44 H 4.5456 -2.4382 1.7484 H 1 UNL1 0.1459 45 H 2.5737 -1.0826 2.5103 H 1 UNL1 0.1526 46 H 1.9892 -2.5395 1.6884 H 1 UNL1 0.1611 47 H 2.3120 2.5207 -0.7397 H 1 UNL1 0.1522 48 H 1.5707 1.2281 -1.6767 H 1 UNL1 0.1550 49 H -2.6243 1.6854 -0.7646 H 1 UNL1 0.1624 50 H -1.1484 0.5977 -1.8745 H 1 UNL1 0.1423 51 H 0.2150 -0.4902 -1.6199 H 1 UNL1 0.1553 52 H -1.3902 -0.9355 -1.0313 H 1 UNL1 0.1695 53 H 6.5592 -1.8318 0.4561 H 1 UNL1 0.1410 54 H 3.2663 0.6319 -2.7078 H 1 UNL1 0.1610 55 H 4.4823 -0.6424 -2.5690 H 1 UNL1 0.1747 56 H 2.8025 -1.0026 -2.1670 H 1 UNL1 0.1598 57 H -4.5558 0.5318 1.3905 H 1 UNL1 0.1385 58 H -3.7664 3.4598 0.5998 H 1 UNL1 0.1387 59 H -3.3105 2.6363 2.1084 H 1 UNL1 0.1630 60 H -2.0686 3.3413 1.0840 H 1 UNL1 0.1580 61 H 7.3209 0.3161 1.3837 H 1 UNL1 0.1580 62 H 6.0440 2.4529 0.7859 H 1 UNL1 0.1754 63 H -5.6117 2.3057 -0.0463 H 1 UNL1 0.1689 64 H -4.8869 1.6313 -1.5104 H 1 UNL1 0.1768 65 H -7.7429 2.0619 -1.2033 H 1 UNL1 0.1573 66 H -8.3996 0.4684 -1.5896 H 1 UNL1 0.1665 67 H -8.3430 1.0118 0.0905 H 1 UNL1 0.1689 68 H -7.8361 -1.8288 -1.7815 H 1 UNL1 0.1552 69 H -6.8869 -2.9660 -0.8234 H 1 UNL1 0.1762 70 H -8.0247 -1.8738 -0.0179 H 1 UNL1 0.1537 @BOND 1 54 14 1 2 55 14 1 3 56 14 1 4 14 8 1 5 50 13 1 6 68 17 1 7 48 24 1 8 51 13 1 9 66 16 1 10 64 25 1 11 18 26 1 12 19 27 2 13 26 11 1 14 65 16 1 15 13 52 1 16 13 1 1 17 16 28 1 18 16 67 1 19 20 29 2 20 17 69 1 21 17 30 1 22 17 70 1 23 49 10 1 24 47 24 1 25 30 28 2 26 30 29 1 27 28 25 1 28 42 22 1 29 8 27 1 30 8 7 1 31 8 6 1 32 24 22 1 33 24 6 1 34 27 35 1 35 29 33 1 36 25 63 1 37 25 12 1 38 37 4 1 39 32 7 1 40 32 9 1 41 33 12 1 42 22 1 1 43 22 43 1 44 11 7 1 45 11 53 1 46 11 34 1 47 7 9 1 48 6 4 1 49 6 39 1 50 1 2 1 51 1 3 1 52 10 12 1 53 10 2 1 54 10 15 1 55 12 57 1 56 35 34 2 57 35 62 1 58 4 3 1 59 4 23 1 60 58 15 1 61 34 61 1 62 2 5 1 63 2 31 1 64 40 21 1 65 9 23 1 66 9 44 1 67 15 60 1 68 15 59 1 69 3 21 1 70 3 36 1 71 23 46 1 72 23 45 1 73 21 5 1 74 21 41 1 75 5 38 1 76 5 31 1