HMDB0000335 RDKit 3D 16a-Hydroxyestrone 43 46 0 0 0 0 0 0 0 0999 V2000 -2.1360 -0.6444 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 0.4525 -0.5099 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5242 1.6546 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 1.4148 -1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 0.7096 0.0434 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9570 0.3544 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 1.1514 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 0.8325 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 -0.3048 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -0.6629 -0.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.1179 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -0.7885 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 -1.7069 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 -1.1841 1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 -0.4927 0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6092 0.0393 0.8171 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6028 -0.8978 1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8993 -0.0951 1.1680 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0337 0.8208 2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 0.6815 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4593 1.3873 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 -0.5195 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -1.6552 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 -0.5407 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 1.9066 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 2.4975 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2263 0.9205 -2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4249 2.4323 -1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 1.4414 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 2.0665 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 1.4578 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5851 -0.1051 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 -2.0102 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -2.6964 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 -1.9644 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 -0.5429 2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -2.0562 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -1.1840 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 0.9600 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 -1.8422 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -1.1195 2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7634 -0.7591 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 1.7091 1.9746 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 2 0 12 13 1 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 18 20 1 0 20 21 2 0 16 2 1 0 20 2 1 0 15 5 1 0 12 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 1 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 6 16 39 1 1 17 40 1 0 17 41 1 0 18 42 1 6 19 43 1 0 M END