HMDB0061077 RDKit 3D alpha-oxycodol 46 50 0 0 0 0 0 0 0 0999 V2000 5.3857 -0.2572 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 0.1892 1.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 -0.2486 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 -1.1362 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 -1.5501 -1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -1.0816 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.2173 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 0.2344 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 1.1260 1.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.5534 1.4610 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0127 2.8202 0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3097 2.9055 0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 2.9778 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0315 1.7243 -1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 0.6305 -0.3736 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7443 1.0362 0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 -0.6646 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 -1.4773 -1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 -1.4120 -0.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -2.3148 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -1.7888 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 -0.6341 1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 0.3571 0.7699 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5901 -0.0427 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -1.3627 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 0.2398 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 -1.5149 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 -2.2448 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 1.7297 2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 3.6674 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 3.1723 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 3.0716 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 3.8739 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 1.9053 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 1.5748 -1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 1.1762 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -0.4706 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -1.4216 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -2.5517 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 -3.1090 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -1.7871 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 -2.7109 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -2.3327 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -2.4849 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -1.0158 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0277 -0.1333 2.3102 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 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 1 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 23 22 1 1 8 3 1 0 23 10 1 0 18 6 1 0 23 7 1 0 23 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 10 29 1 1 11 30 1 1 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 22 46 1 0 M END