HMDB0004611 RDKit 3D 7a-Hydroxydehydroepiandrosterone 50 53 0 0 0 0 0 0 0 0999 V2000 -2.8294 -0.3354 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -0.6112 -0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0240 -1.8455 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -1.7254 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 -0.5646 -0.3862 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6732 0.7346 -0.3832 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0434 1.6270 -1.4090 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2077 1.0278 -2.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 1.6053 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 0.7179 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 0.8065 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 -0.1073 0.6553 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3153 0.5408 1.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -1.4498 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.6023 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 -0.3538 0.2975 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2686 0.0975 1.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 0.5493 -0.8679 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0171 1.6517 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3788 0.9783 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1094 -0.4828 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 -1.3755 -1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7235 -1.3066 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 0.0495 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 0.4243 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 -1.8260 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5288 -2.7894 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 -2.6494 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -1.6511 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -0.7880 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.2830 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 2.6310 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 0.8657 -3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 2.3675 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 1.8629 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 0.7107 -1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -0.2582 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 1.5213 1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -2.2576 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -1.7069 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 -2.4042 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -1.8902 -0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 -0.5976 2.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 1.1478 1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2339 0.0772 2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 0.3428 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 2.5478 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 1.9224 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0801 1.2161 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7977 1.2719 -1.7820 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 18 2 1 0 21 2 1 0 16 5 1 0 16 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 6 31 1 1 7 32 1 6 8 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 12 37 1 6 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 6 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 M END