HMDB0001455 RDKit 3D Alloepipregnanolone 57 60 0 0 0 0 0 0 0 0999 V2000 6.0004 0.1265 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -0.2423 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -1.0696 1.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 0.3601 -0.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7391 0.0886 -1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -0.1719 -2.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 0.2929 -1.0202 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0773 -0.1464 -0.9646 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7096 -0.0837 -2.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0929 -0.6679 -1.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 0.1625 -0.8615 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1576 -0.3186 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8778 0.4923 0.4212 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9147 -0.3288 0.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 0.8871 1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 1.4094 1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 0.3117 0.4205 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9855 -0.9303 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 0.7857 0.0609 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3152 1.0867 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.1265 1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -0.2943 0.2069 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3871 -1.7746 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -0.3711 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 1.2306 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6219 -0.1542 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 1.4527 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -0.7617 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 1.0360 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 -1.2620 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 0.3404 -3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 1.4054 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 -1.1671 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 0.9677 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2511 -0.7087 -3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -0.6171 -2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 -1.7124 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 1.2068 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7153 -0.1521 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -1.4127 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3792 1.3909 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4736 -1.1874 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 0.1234 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5509 1.7509 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8012 2.2840 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 1.7242 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0392 -1.3350 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -1.7400 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 -0.6935 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 1.7459 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 1.1534 2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 2.1084 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.7891 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 0.5689 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -2.0318 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2974 -2.2173 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 -2.2778 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 6 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 1 8 33 1 1 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 6 12 39 1 0 12 40 1 0 13 41 1 6 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 6 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END