HMDB0001245 RDKit 3D dCDP 39 40 0 0 0 0 0 0 0 0999 V2000 6.5890 -1.4988 -1.6142 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 -1.1332 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -0.6342 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 -0.2714 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 -0.3791 0.2177 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 0.0302 0.9326 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6274 1.5172 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 1.6202 0.5699 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4303 2.6222 1.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.2501 1.0097 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7191 -0.0782 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 0.0147 -0.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 -0.3930 -1.0952 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9768 0.0550 -2.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 -2.0509 -0.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 0.4136 0.1036 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0925 0.2396 -0.1238 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4665 0.0817 -1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8827 1.6425 0.4459 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7255 -1.0578 0.7781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -0.5666 0.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -0.8609 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -0.9628 -1.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 -1.2302 -1.6425 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9435 -2.4747 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -0.7493 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 -0.5463 0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 0.1127 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 -0.2753 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 1.9428 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.9805 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 1.7818 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 2.7851 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 0.2090 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 0.6419 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 -1.0749 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -2.1883 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2162 2.3455 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -1.8605 0.7004 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 13 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 10 21 1 0 5 22 1 0 22 23 2 0 22 24 1 0 24 2 2 0 21 6 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 6 29 1 1 7 30 1 0 7 31 1 0 8 32 1 6 9 33 1 0 10 34 1 1 11 35 1 0 11 36 1 0 15 37 1 0 19 38 1 0 20 39 1 0 M END