@MOLECULE estradiol enanthate 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2408 -0.0360 -0.3191 O.3 1 UNL1111111111 -0.4493 2 O 3.7069 -1.2298 -1.5347 O.2 1 UNL1111111111 -0.5134 3 O -8.2745 1.4847 0.9176 O.3 1 UNL1111111111 -0.4770 4 C -0.1486 -0.1502 -0.3621 C.3 1 UNL1111111111 0.0467 5 C -1.1012 -1.3817 -0.3176 C.3 1 UNL1111111111 -0.1455 6 C -2.4592 -0.9681 0.2381 C.3 1 UNL1111111111 -0.1140 7 C -3.0845 0.0434 -0.7604 C.3 1 UNL1111111111 -0.1100 8 C 1.1686 -0.8533 -0.7868 C.3 1 UNL1111111111 0.1134 9 C -0.7216 0.8453 -1.3730 C.3 1 UNL1111111111 -0.2917 10 C -0.2860 -2.4518 0.4252 C.3 1 UNL1111111111 -0.2756 11 C -2.1484 1.2552 -0.9616 C.3 1 UNL1111111111 -0.2720 12 C 1.1650 -2.2144 -0.0520 C.3 1 UNL1111111111 -0.3160 13 C -3.4112 -2.1585 0.3865 C.3 1 UNL1111111111 -0.2787 14 C 0.0638 0.5299 0.9937 C.3 1 UNL1111111111 -0.4436 15 C -4.4619 0.4442 -0.3014 C.ar 1 UNL1111111111 -0.0973 16 C -4.6859 -1.6845 1.0893 C.3 1 UNL1111111111 -0.2860 17 C -5.2091 -0.3866 0.5503 C.ar 1 UNL1111111111 0.0751 18 C -5.0340 1.6297 -0.7686 C.ar 1 UNL1111111111 -0.0915 19 C -6.4926 -0.0122 0.9479 C.ar 1 UNL1111111111 -0.2876 20 C 3.4860 -0.3259 -0.7708 C.2 1 UNL1111111111 0.6087 21 C -6.3130 2.0234 -0.3856 C.ar 1 UNL1111111111 -0.3200 22 C -7.0217 1.1896 0.4777 C.ar 1 UNL1111111111 0.2941 23 C 4.4629 0.6457 -0.1789 C.3 1 UNL1111111111 -0.3490 24 C 5.8628 0.0259 -0.1538 C.3 1 UNL1111111111 -0.2540 25 C 6.8836 1.0218 0.4067 C.3 1 UNL1111111111 -0.2728 26 C 8.2875 0.4034 0.4141 C.3 1 UNL1111111111 -0.2700 27 C 9.3149 1.3928 0.9795 C.3 1 UNL1111111111 -0.2539 28 C 10.7156 0.7805 0.9831 C.3 1 UNL1111111111 -0.4398 29 H -1.2562 -1.7482 -1.3651 H 1 UNL1111111111 0.1406 30 H -2.3347 -0.4794 1.2323 H 1 UNL1111111111 0.1489 31 H -3.1997 -0.4701 -1.7514 H 1 UNL1111111111 0.1471 32 H 1.2644 -0.9632 -1.8843 H 1 UNL1111111111 0.1358 33 H -0.0774 1.7416 -1.4380 H 1 UNL1111111111 0.1443 34 H -0.7330 0.4068 -2.3875 H 1 UNL1111111111 0.1382 35 H -0.3725 -2.3359 1.5171 H 1 UNL1111111111 0.1411 36 H -0.6314 -3.4689 0.1902 H 1 UNL1111111111 0.1364 37 H -2.5605 1.9238 -1.7407 H 1 UNL1111111111 0.1343 38 H -2.1163 1.8536 -0.0319 H 1 UNL1111111111 0.1458 39 H 1.5133 -3.0191 -0.7185 H 1 UNL1111111111 0.1519 40 H 1.8675 -2.1957 0.7969 H 1 UNL1111111111 0.1523 41 H -3.6507 -2.5905 -0.6026 H 1 UNL1111111111 0.1428 42 H -2.9340 -2.9700 0.9651 H 1 UNL1111111111 0.1400 43 H 0.7622 1.3713 0.9001 H 1 UNL1111111111 0.1530 44 H -0.8692 0.9222 1.4108 H 1 UNL1111111111 0.1460 45 H 0.4910 -0.1621 1.7281 H 1 UNL1111111111 0.1493 46 H -4.4896 -1.5644 2.1779 H 1 UNL1111111111 0.1567 47 H -5.4665 -2.4705 1.0145 H 1 UNL1111111111 0.1535 48 H -4.4773 2.2705 -1.4535 H 1 UNL1111111111 0.1510 49 H -7.0860 -0.6351 1.6117 H 1 UNL1111111111 0.1754 50 H -6.7405 2.9489 -0.7513 H 1 UNL1111111111 0.1591 51 H 4.4554 1.5795 -0.7813 H 1 UNL1111111111 0.1758 52 H 4.1455 0.9496 0.8410 H 1 UNL1111111111 0.1761 53 H 6.1539 -0.2926 -1.1762 H 1 UNL1111111111 0.1579 54 H 5.8594 -0.9021 0.4504 H 1 UNL1111111111 0.1473 55 H -8.6035 2.3403 0.5542 H 1 UNL1111111111 0.3251 56 H 6.8838 1.9494 -0.1959 H 1 UNL1111111111 0.1370 57 H 6.5992 1.3243 1.4320 H 1 UNL1111111111 0.1369 58 H 8.2910 -0.5269 1.0123 H 1 UNL1111111111 0.1384 59 H 8.5767 0.1039 -0.6108 H 1 UNL1111111111 0.1397 60 H 9.0302 1.6896 2.0064 H 1 UNL1111111111 0.1328 61 H 9.3121 2.3247 0.3833 H 1 UNL1111111111 0.1333 62 H 10.7540 -0.1292 1.5927 H 1 UNL1111111111 0.1431 63 H 11.4538 1.4804 1.3900 H 1 UNL1111111111 0.1404 64 H 11.0390 0.5130 -0.0291 H 1 UNL1111111111 0.1435 @BOND 1 1 8 1 2 1 20 1 3 2 20 2 4 3 22 1 5 3 55 1 6 4 5 1 7 4 8 1 8 4 9 1 9 4 14 1 10 5 6 1 11 5 10 1 12 5 29 1 13 6 7 1 14 6 13 1 15 6 30 1 16 7 11 1 17 7 15 1 18 7 31 1 19 8 12 1 20 8 32 1 21 9 11 1 22 9 33 1 23 9 34 1 24 10 12 1 25 10 35 1 26 10 36 1 27 11 37 1 28 11 38 1 29 12 39 1 30 12 40 1 31 13 16 1 32 13 41 1 33 13 42 1 34 14 43 1 35 14 44 1 36 14 45 1 37 15 17 ar 38 15 18 ar 39 16 17 1 40 16 46 1 41 16 47 1 42 17 19 ar 43 18 21 ar 44 18 48 1 45 19 22 ar 46 19 49 1 47 20 23 1 48 21 22 ar 49 21 50 1 50 23 24 1 51 23 51 1 52 23 52 1 53 24 25 1 54 24 53 1 55 24 54 1 56 25 26 1 57 25 56 1 58 25 57 1 59 26 27 1 60 26 58 1 61 26 59 1 62 27 28 1 63 27 60 1 64 27 61 1 65 28 62 1 66 28 63 1 67 28 64 1