@MOLECULE 17beta-(1,4-dioxan-2-yloxy)estra-1,3,5(10)-trien-3-ol 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.3268 -0.3614 0.4833 O.3 1 UNL1111111111 -0.4358 2 O 4.8511 0.1896 -1.1744 O.3 1 UNL1111111111 -0.4319 3 O 5.4370 1.5428 1.2036 O.3 1 UNL1111111111 -0.3530 4 O -7.2245 1.2716 0.6000 O.3 1 UNL1111111111 -0.4779 5 C 0.9873 -0.3251 0.0432 C.3 1 UNL1111111111 0.0527 6 C 0.0345 -1.4420 -0.4720 C.3 1 UNL1111111111 -0.1461 7 C -1.3919 -1.1612 -0.0114 C.3 1 UNL1111111111 -0.1131 8 C 2.3586 -0.9134 -0.3896 C.3 1 UNL1111111111 0.0895 9 C -1.8470 0.1576 -0.6944 C.3 1 UNL1111111111 -0.1103 10 C 0.5868 0.9819 -0.6456 C.3 1 UNL1111111111 -0.2927 11 C 0.7187 -2.7420 -0.0214 C.3 1 UNL1111111111 -0.2717 12 C -0.8857 1.3126 -0.3374 C.3 1 UNL1111111111 -0.2684 13 C 2.2294 -2.4443 -0.1684 C.3 1 UNL1111111111 -0.3242 14 C -2.3629 -2.2762 -0.4094 C.3 1 UNL1111111111 -0.2797 15 C 0.9861 -0.1445 1.5644 C.3 1 UNL1111111111 -0.4452 16 C -3.2771 0.4641 -0.3344 C.ar 1 UNL1111111111 -0.0960 17 C -3.7294 -1.9862 0.2177 C.3 1 UNL1111111111 -0.2853 18 C -4.1538 -0.5551 0.0734 C.ar 1 UNL1111111111 0.0751 19 C -3.7607 1.7687 -0.4566 C.ar 1 UNL1111111111 -0.0917 20 C 4.6558 -0.4789 0.0461 C.3 1 UNL1111111111 0.2714 21 C -5.4810 -0.2575 0.3842 C.ar 1 UNL1111111111 -0.2881 22 C -5.0808 2.0890 -0.1528 C.ar 1 UNL1111111111 -0.3203 23 C -5.9213 1.0609 0.2715 C.ar 1 UNL1111111111 0.2937 24 C 5.4987 0.1317 1.1806 C.3 1 UNL1111111111 -0.1057 25 C 4.6935 1.5959 -1.0825 C.3 1 UNL1111111111 -0.0666 26 C 5.6957 2.1323 -0.0589 C.3 1 UNL1111111111 -0.0933 27 H 0.0443 -1.4295 -1.5918 H 1 UNL1111111111 0.1377 28 H -1.4197 -1.0351 1.0959 H 1 UNL1111111111 0.1504 29 H 2.6102 -0.6615 -1.4371 H 1 UNL1111111111 0.1290 30 H -1.8072 0.0071 -1.8053 H 1 UNL1111111111 0.1454 31 H 0.7378 0.9079 -1.7375 H 1 UNL1111111111 0.1352 32 H 1.2368 1.8084 -0.3030 H 1 UNL1111111111 0.1439 33 H 0.4108 -3.6022 -0.6325 H 1 UNL1111111111 0.1319 34 H 0.4606 -2.9884 1.0209 H 1 UNL1111111111 0.1411 35 H -0.9981 1.5664 0.7338 H 1 UNL1111111111 0.1477 36 H -1.1663 2.2234 -0.8989 H 1 UNL1111111111 0.1326 37 H 2.7800 -2.7438 0.7377 H 1 UNL1111111111 0.1505 38 H 2.6675 -3.0030 -1.0068 H 1 UNL1111111111 0.1362 39 H -1.9877 -3.2591 -0.0720 H 1 UNL1111111111 0.1390 40 H -2.4471 -2.3443 -1.5095 H 1 UNL1111111111 0.1417 41 H 1.7103 0.6281 1.8597 H 1 UNL1111111111 0.1602 42 H 0.0068 0.1567 1.9477 H 1 UNL1111111111 0.1449 43 H 1.2810 -1.0656 2.0786 H 1 UNL1111111111 0.1486 44 H -3.7045 -2.2421 1.3003 H 1 UNL1111111111 0.1569 45 H -4.4935 -2.6571 -0.2277 H 1 UNL1111111111 0.1525 46 H -3.0995 2.5653 -0.7999 H 1 UNL1111111111 0.1510 47 H 4.9134 -1.5289 -0.2061 H 1 UNL1111111111 0.1281 48 H -6.1745 -1.0280 0.7098 H 1 UNL1111111111 0.1750 49 H -5.4392 3.1065 -0.2461 H 1 UNL1111111111 0.1586 50 H 5.0923 -0.1396 2.1750 H 1 UNL1111111111 0.1637 51 H 6.5524 -0.1860 1.0978 H 1 UNL1111111111 0.1305 52 H 3.6506 1.8250 -0.7957 H 1 UNL1111111111 0.1436 53 H 4.8932 1.9411 -2.1100 H 1 UNL1111111111 0.1401 54 H 6.7387 1.9307 -0.3563 H 1 UNL1111111111 0.1283 55 H 5.5649 3.2095 0.1434 H 1 UNL1111111111 0.1452 56 H -7.4832 2.2180 0.5021 H 1 UNL1111111111 0.3250 @BOND 1 1 8 1 2 1 20 1 3 2 20 1 4 2 25 1 5 3 24 1 6 3 26 1 7 4 23 1 8 4 56 1 9 5 6 1 10 5 8 1 11 5 10 1 12 5 15 1 13 6 7 1 14 6 11 1 15 6 27 1 16 7 9 1 17 7 14 1 18 7 28 1 19 8 13 1 20 8 29 1 21 9 12 1 22 9 16 1 23 9 30 1 24 10 12 1 25 10 31 1 26 10 32 1 27 11 13 1 28 11 33 1 29 11 34 1 30 12 35 1 31 12 36 1 32 13 37 1 33 13 38 1 34 14 17 1 35 14 39 1 36 14 40 1 37 15 41 1 38 15 42 1 39 15 43 1 40 16 18 ar 41 16 19 ar 42 17 18 1 43 17 44 1 44 17 45 1 45 18 21 ar 46 19 22 ar 47 19 46 1 48 20 24 1 49 20 47 1 50 21 23 ar 51 21 48 1 52 22 23 ar 53 22 49 1 54 24 50 1 55 24 51 1 56 25 26 1 57 25 52 1 58 25 53 1 59 26 54 1 60 26 55 1