HMDB0060796 RDKit 3D 6alpha-Hydroxy-hydromorphone 42 46 0 0 0 0 0 0 0 0999 V2000 3.7527 -0.2015 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 -0.6673 -0.0868 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -0.6161 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.3883 -1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -0.3046 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 1.0737 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 1.9345 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 3.2085 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 3.5398 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 2.5933 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 2.9286 -0.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 1.3101 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 0.1167 -0.8915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 -0.9448 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1071 -1.8920 0.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2034 -2.6661 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -2.7877 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 -2.2225 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 -0.7432 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -0.0498 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 1.4514 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -0.9516 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.7750 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 -0.0630 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 0.1343 -1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 -1.5941 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 0.5768 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0554 -1.1537 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3786 3.9316 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 4.5519 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2425 3.8501 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 -1.5008 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 -1.3068 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 -3.0281 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -3.0541 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 -3.7423 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0545 -2.6842 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 -2.5111 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 -0.4335 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0931 -0.1880 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 1.6973 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 2.0214 1.4733 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 2 1 0 14 5 1 0 19 5 1 0 12 6 1 0 21 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 14 32 1 0 15 33 1 1 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 M END