HMDB0255978 RDKit 3D Oxendolone 52 55 0 0 0 0 0 0 0 0999 V2000 5.3228 0.5179 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 1.1233 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 0.9168 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 1.5161 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 0.3859 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 0.5746 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 1.9926 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 2.2754 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 1.0752 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3875 1.1799 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 0.0438 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5522 0.1857 -0.6685 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7463 -1.3140 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -1.3147 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 -0.2268 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -0.3647 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 -1.7786 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6278 -1.8554 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -0.8844 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -1.6111 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 -0.5039 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 -0.5869 2.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2657 -0.5879 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 0.8341 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 0.9807 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 0.7887 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 2.2329 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 1.3808 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 1.8304 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 2.3997 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 0.5566 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 0.5072 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 2.0108 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 2.7472 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 2.7675 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 3.0292 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7444 2.1304 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2476 -1.9061 0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 -1.7765 -1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -1.2031 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -2.3024 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 -0.4302 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 -0.0998 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -2.4174 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -2.1610 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6872 -1.8176 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -2.9141 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 -1.9962 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 -0.9214 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -2.4673 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -1.2111 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -1.3308 2.7721 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 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 19 20 1 0 19 21 1 0 21 22 1 0 21 3 1 0 19 5 1 0 16 6 1 0 15 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 M END