HMDB0249623 RDKit 3D Androstane-3,17-diol dipropionate 69 72 0 0 0 0 0 0 0 0999 V2000 8.4757 0.1047 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 0.0752 -1.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 0.4655 -1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9082 1.6877 -1.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -0.4180 -1.0791 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 0.0762 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 -0.3229 -1.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -0.2280 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 -1.0628 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8766 -2.4525 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.3693 1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 1.0051 1.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 1.2378 1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6036 0.1144 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.1786 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -2.1723 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -1.7004 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -0.3611 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 0.2247 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8397 -0.5445 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8487 0.3045 -0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0715 -0.1696 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3091 -1.3933 -0.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1289 0.7231 -1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0451 1.0957 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 0.0589 1.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 1.2717 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 0.5917 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 -0.4172 0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2802 0.8277 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9894 0.3950 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9503 -0.8900 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 0.8489 -2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4834 -0.9399 -2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 1.1945 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 0.4530 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 -1.2793 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 0.8399 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.5244 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9179 -2.4324 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 -3.0244 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2777 -2.9263 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1775 -0.9858 2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 1.2798 2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 1.6921 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 1.7067 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 2.0945 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.1126 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 -1.6585 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4885 -3.1133 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -2.4644 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7264 -2.4582 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -1.7830 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 1.3225 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.1564 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7805 -0.2220 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -1.5769 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7339 0.1246 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6377 1.5985 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2618 0.1497 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9938 1.5100 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5602 1.8599 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5857 0.4176 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 -0.6055 2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 1.9650 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3127 1.6587 2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 1.4435 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 -1.4146 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 0.2449 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 20 26 1 0 26 27 1 0 27 28 1 0 11 29 1 0 29 6 1 0 15 9 1 0 28 18 1 0 28 14 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 10 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 19 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 29 68 1 0 29 69 1 0 M END