HMDB0000077 RDKit 3D Dehydroepiandrosterone 49 52 0 0 0 0 0 0 0 0999 V2000 -2.7875 0.1894 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 0.6234 -0.0001 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9123 1.8657 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 1.6798 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.4258 0.2241 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7516 -0.7895 0.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0782 -1.9921 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -1.9136 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -0.9674 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -0.9638 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.3507 0.7088 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2732 0.7035 0.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 1.4592 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 1.3198 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 0.1313 -0.5853 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0846 -0.3122 -1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -0.4554 0.8577 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0207 -1.5378 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3656 -0.8149 0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 0.6177 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7602 1.5383 0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 -0.9102 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 0.5902 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7323 0.6367 -1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 2.7059 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 2.1606 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 2.5411 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 1.8276 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 0.5132 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 -0.9531 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 -2.8698 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -2.2484 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 -2.7323 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -1.1239 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -1.7553 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.2745 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 0.7007 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 1.4051 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 2.4295 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 1.1167 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 2.2389 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -1.3490 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -0.2462 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 0.3356 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7581 0.0052 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -1.9685 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 -2.3211 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8331 -1.1927 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 -0.9691 1.7029 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 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 1 6 30 1 6 7 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 10 35 1 0 11 36 1 1 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 1 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 M END