HMDB0014400 RDKit 3D Diethylstilbestrol 40 41 0 0 0 0 0 0 0 0999 V2000 2.0471 -2.2005 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -0.8395 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.4593 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1394 0.5221 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 0.8600 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 0.7760 1.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 1.3230 1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 0.7987 2.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 1.5941 2.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 2.9852 2.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 3.7873 3.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 3.5154 1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6287 2.7031 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 -1.1391 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -0.3665 -2.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -0.8903 -3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3448 -2.2529 -3.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -2.8258 -4.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 -3.0277 -2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -2.4868 -1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -2.2393 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -2.4887 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 -3.0150 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -0.0478 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -0.9441 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 0.1858 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 1.8965 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 -0.3181 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 1.4037 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 1.0636 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.2797 2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 1.1933 3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 4.1057 4.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 4.5801 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 3.1151 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.6991 -2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 -0.2546 -4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 -3.8206 -4.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -4.0915 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -3.1202 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 3 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 13 7 1 0 20 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 6 30 1 0 8 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 M END