@MOLECULE (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl hydrogen sulfate 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.7925 0.6477 -0.0824 S.O2 1 UNL111111111 2.5510 2 O -3.1948 0.5006 0.2440 O.3 1 UNL111111111 -0.7275 3 O -4.6958 1.0338 -1.6803 O.3 1 UNL111111111 -0.8167 4 O -5.4144 -0.6350 0.0458 O.2 1 UNL111111111 -0.8724 5 O -5.2760 1.8264 0.5749 O.2 1 UNL111111111 -0.8803 6 O 7.1193 1.0677 -0.2405 O.3 1 UNL111111111 -0.4763 7 C -1.1446 -0.5903 -0.3711 C.3 1 UNL111111111 0.0512 8 C -0.2755 -1.5752 0.4568 C.3 1 UNL111111111 -0.1448 9 C 1.2425 -1.3462 0.4141 C.3 1 UNL111111111 -0.1204 10 C 1.6196 0.1433 0.5356 C.3 1 UNL111111111 -0.1076 11 C -2.5494 -0.7637 0.2953 C.3 1 UNL111111111 0.1829 12 C -0.6670 0.8609 -0.2254 C.3 1 UNL111111111 -0.2704 13 C -0.8230 -1.4684 1.8997 C.3 1 UNL111111111 -0.2790 14 C 0.8344 0.9987 -0.4755 C.3 1 UNL111111111 -0.2790 15 C -2.3153 -1.1274 1.7722 C.3 1 UNL111111111 -0.3245 16 C 1.8627 -1.9408 -0.8597 C.3 1 UNL111111111 -0.2734 17 C -1.2315 -0.9870 -1.8445 C.3 1 UNL111111111 -0.4718 18 C 3.0939 0.3624 0.3330 C.ar 1 UNL111111111 -0.0994 19 C 3.3897 -1.9140 -0.7487 C.3 1 UNL111111111 -0.2859 20 C 3.9124 -0.5863 -0.2939 C.ar 1 UNL111111111 0.0775 21 C 3.6448 1.5675 0.7784 C.ar 1 UNL111111111 -0.0877 22 C 5.2703 -0.3243 -0.4785 C.ar 1 UNL111111111 -0.2873 23 C 4.9957 1.8498 0.6046 C.ar 1 UNL111111111 -0.3191 24 C 5.7879 0.8896 -0.0266 C.ar 1 UNL111111111 0.2954 25 H -0.4759 -2.6092 0.0851 H 1 UNL111111111 0.1353 26 H 1.6895 -1.8826 1.2913 H 1 UNL111111111 0.1408 27 H 1.3424 0.4807 1.5679 H 1 UNL111111111 0.1409 28 H -3.1544 -1.5317 -0.2314 H 1 UNL111111111 0.1348 29 H -0.9145 1.2327 0.7900 H 1 UNL111111111 0.1530 30 H -1.2314 1.5129 -0.9190 H 1 UNL111111111 0.1465 31 H -0.2926 -0.6793 2.4605 H 1 UNL111111111 0.1435 32 H -0.6605 -2.4032 2.4565 H 1 UNL111111111 0.1341 33 H 1.0910 0.7010 -1.5085 H 1 UNL111111111 0.1435 34 H 1.1362 2.0594 -0.3898 H 1 UNL111111111 0.1373 35 H -2.9530 -1.9715 2.0808 H 1 UNL111111111 0.1476 36 H -2.5878 -0.2814 2.4291 H 1 UNL111111111 0.1620 37 H 1.5369 -1.3670 -1.7475 H 1 UNL111111111 0.1464 38 H 1.5110 -2.9756 -1.0193 H 1 UNL111111111 0.1351 39 H -0.2757 -0.8330 -2.3580 H 1 UNL111111111 0.1502 40 H -1.5056 -2.0386 -1.9752 H 1 UNL111111111 0.1418 41 H -1.9794 -0.3810 -2.3734 H 1 UNL111111111 0.1593 42 H 3.8383 -2.1942 -1.7247 H 1 UNL111111111 0.1532 43 H 3.7293 -2.6940 -0.0318 H 1 UNL111111111 0.1569 44 H 3.0058 2.3011 1.2713 H 1 UNL111111111 0.1516 45 H 5.9273 -1.0424 -0.9612 H 1 UNL111111111 0.1760 46 H 5.4165 2.7857 0.9507 H 1 UNL111111111 0.1599 47 H -4.7988 1.9734 -1.8976 H 1 UNL111111111 0.3904 48 H 7.4367 1.9379 0.0985 H 1 UNL111111111 0.3254 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 5 2 5 2 11 1 6 3 47 1 7 6 24 1 8 6 48 1 9 7 8 1 10 7 11 1 11 7 12 1 12 7 17 1 13 8 9 1 14 8 13 1 15 8 25 1 16 9 10 1 17 9 16 1 18 9 26 1 19 10 14 1 20 10 18 1 21 10 27 1 22 11 15 1 23 11 28 1 24 12 14 1 25 12 29 1 26 12 30 1 27 13 15 1 28 13 31 1 29 13 32 1 30 14 33 1 31 14 34 1 32 15 35 1 33 15 36 1 34 16 19 1 35 16 37 1 36 16 38 1 37 17 39 1 38 17 40 1 39 17 41 1 40 18 20 ar 41 18 21 ar 42 19 20 1 43 19 42 1 44 19 43 1 45 20 22 ar 46 21 23 ar 47 21 44 1 48 22 24 ar 49 22 45 1 50 23 24 ar 51 23 46 1