Estrone 3-sulfate sodium http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=88ff56ff-3215-4037-a5f7-a46e4c7b5139 47 49 0 1 0 0 0 0 0999 V2000 1.4022 1.1692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5694 7.3833 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 8.9163 4.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6594 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7934 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9273 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7934 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 4.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1343 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5327 1.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 3.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1919 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1430 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 4.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 3.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0394 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 3 16 2 0 0 0 0 4 25 1 0 0 0 0 5 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 6 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 1 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 11 28 1 6 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 M RAD 1 2 2 M END