HMDB0005895 RDKit 3D 4-Hydroxyestrone 43 46 0 0 0 0 0 0 0 0999 V2000 -1.8456 -0.6326 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -0.3676 -0.1193 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1138 -1.4742 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 -1.7620 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 -0.5947 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5545 -0.7320 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 -1.9854 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 -2.1174 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -1.0312 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 -1.1436 -1.6605 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 0.2161 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 1.2788 -0.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 0.3358 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 1.6655 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.7044 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3091 0.7435 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 0.8611 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 1.9203 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 1.5258 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 0.1033 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -0.5094 0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -1.6987 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 -0.0270 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -0.5379 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 -1.0882 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 -2.3973 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 -2.0995 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4274 -2.6650 1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 -0.8117 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -2.8486 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -3.0850 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 -2.0655 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 2.2363 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 1.6255 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4449 2.5211 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 1.4598 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 2.7230 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 1.2593 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 0.9908 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5989 1.7982 -1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 2.9419 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 1.5744 -1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 2.1898 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 17 2 1 0 20 2 1 0 16 5 1 0 13 6 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 M END