HMDB0000053 RDKit 3D Androstenedione 47 50 0 0 0 0 0 0 0 0999 V2000 2.9375 -0.8455 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 0.3198 -0.2015 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0079 1.4762 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 1.0068 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 0.5805 0.2593 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2569 -0.5038 -0.6725 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7193 -0.7802 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0099 -0.0478 -1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 0.0854 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 0.1809 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 0.3110 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5119 0.0001 1.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4756 0.7981 2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0387 0.9417 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 0.1071 0.8461 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4277 -1.3291 1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -0.0502 -1.2701 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2966 -1.0636 -2.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -0.3908 -2.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 0.6353 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 1.4969 -1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -1.7678 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 -1.0979 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 -0.5294 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 1.9739 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 2.2301 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 0.2502 2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 1.8951 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 1.4725 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 -1.4327 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 -0.5666 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9393 -1.8859 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 -0.6126 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 0.9723 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4786 0.1570 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6369 0.1103 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 1.7744 2.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 0.6227 2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 2.0230 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -2.0563 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 -1.5216 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -1.5115 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 0.8540 -1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -1.1750 -3.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -2.0348 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 -1.1139 -1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 0.0416 -3.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 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 15 5 1 0 15 9 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 6 6 30 1 1 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 6 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 M END