HMDB0006036 RDKit 3D Mesterolone 54 57 0 0 0 0 0 0 0 0999 V2000 -2.3548 1.5858 1.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.2244 1.2985 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8162 -0.1708 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3748 0.2246 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5037 0.6726 -0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 0.0823 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.7495 -1.1386 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3972 0.7158 -2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 0.9716 -2.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.2160 -1.0346 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0084 0.3816 -0.7293 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0210 0.0786 -1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 -0.1281 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -0.2185 0.5358 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5358 -1.2051 1.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -0.6493 0.3428 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4162 -2.0432 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 -0.5408 1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 0.5567 1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 0.7003 0.1796 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5446 0.0770 0.0643 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5082 -1.4083 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 2.1225 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 1.4700 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 2.2459 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -0.5299 2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 -1.2718 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4162 0.3236 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4336 -0.9735 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.6276 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4553 1.7958 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -0.2440 -2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 1.5044 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 2.0560 -2.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.5805 -3.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -0.8565 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 1.3693 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 0.8944 -2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -0.8241 -2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -1.0104 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 0.7810 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 0.7701 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -0.8667 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 -2.7001 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 -2.2125 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.4339 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -0.3046 2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -1.4879 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 0.4113 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 1.5064 1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 1.8106 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 -1.9418 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -1.5787 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 -1.9060 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 6 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 2 1 0 21 7 1 0 20 10 1 0 16 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 1 3 27 1 0 3 28 1 0 6 29 1 0 6 30 1 0 7 31 1 1 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 6 11 37 1 1 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 1 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 6 22 52 1 0 22 53 1 0 22 54 1 0 M END