HMDB0015081 RDKit 3D Phenprocoumon 37 39 0 0 0 0 0 0 0 0999 V2000 -2.3950 -2.7648 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -2.1730 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -0.9076 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 0.2411 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 1.1070 1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 2.1774 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3689 2.3719 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 1.5348 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 0.4683 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -0.8363 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 0.3124 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.2625 1.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4025 0.4160 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 1.5099 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 1.6158 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 0.6322 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 -0.4778 -1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8741 -0.5633 -0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -1.5997 -1.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 -1.7766 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -2.7967 -0.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -3.8616 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.8191 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -2.2831 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 -2.0433 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -2.9235 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.5928 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 0.9236 2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 2.8430 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 3.2036 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 1.6857 -2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -0.1785 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 2.0927 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 2.3198 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 2.4802 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8943 0.6641 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -1.2642 -2.0714 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 3 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 9 4 1 0 20 10 1 0 18 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 M END