HMDB0061123 RDKit 3D 4-Hydroxytamoxifen sulfate 62 64 0 0 0 0 0 0 0 0999 V2000 -0.0563 3.8263 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 2.8376 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 1.9250 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 0.6430 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 0.0367 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 -0.9961 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -1.6003 1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 -1.2224 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 -1.9062 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 -1.7682 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 -0.4525 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9101 -0.3212 -0.1667 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9036 -1.1776 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 -0.3299 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -0.1834 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 0.4436 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 -0.3231 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -1.3081 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 -2.2696 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -2.2275 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2594 -3.1789 -0.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -4.6842 0.0880 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.9619 -5.3063 0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9116 -4.5100 1.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2813 -5.7698 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4596 -1.2420 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -0.2694 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 2.5316 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 3.5187 1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3635 4.1361 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 3.7456 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8154 2.7740 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 2.1399 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 3.7357 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 4.8461 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 3.6206 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 3.4305 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 2.3810 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -1.3069 1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5742 -2.4138 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -1.9200 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 -2.5664 0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 0.4387 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 -0.4316 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 -2.1204 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 -1.4411 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 -0.6365 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -0.2755 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 0.6165 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4205 -1.1968 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.1388 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 1.2348 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 -1.3261 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -3.0648 -1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1313 -5.3103 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3817 -1.2066 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6247 0.4780 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4855 3.8312 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 4.9026 1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1689 4.2236 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4739 2.4495 -1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 1.3780 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 2 0 22 25 1 0 20 26 1 0 26 27 2 0 3 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 16 5 1 0 27 17 1 0 33 28 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 6 39 1 0 7 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 13 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 18 53 1 0 19 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 31 60 1 0 32 61 1 0 33 62 1 0 M END