HMDB0059599 RDKit 3D CDP-glycerol 51 52 0 0 0 0 0 0 0 0999 V2000 8.7594 0.6489 0.9144 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 0.4950 0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5107 0.2019 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 0.0546 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 0.1905 -0.4342 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 0.0461 -0.9988 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7881 1.0540 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 0.6421 -0.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5738 1.0212 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 0.5714 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 0.9778 1.2971 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9305 1.4191 2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 2.2515 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 -0.3640 1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 -1.2577 0.5118 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7499 -2.6885 0.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8376 -0.5455 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -1.3249 0.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4577 -0.0776 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9653 -0.2031 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3281 -1.1721 2.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5396 -0.6239 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2054 0.3158 -1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -0.8649 -0.9398 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4733 -1.2330 -2.2892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -1.1883 -0.4496 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4169 -2.3303 -1.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 0.4790 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8107 0.6397 -2.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2445 0.6268 -0.7759 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5115 0.8721 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 0.0936 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 -0.1756 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6755 -0.1069 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 1.0907 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 0.5136 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 2.1140 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 2.2896 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 -0.1315 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 0.6388 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0551 0.2024 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3797 0.7845 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.8391 2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6272 -0.8074 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0865 -1.5838 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3155 0.1245 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -1.3566 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 -0.6150 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -1.2149 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 -2.1540 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 1.5314 -3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 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 2 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 8 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 5 28 1 0 28 29 1 0 28 30 2 0 30 2 1 0 26 6 1 0 1 31 1 0 3 32 1 0 4 33 1 0 6 34 1 6 8 35 1 6 9 36 1 0 9 37 1 0 13 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 24 47 1 1 25 48 1 0 26 49 1 1 27 50 1 0 29 51 1 0 M END