HMDB0250338 RDKit 3D Cloethocarb 31 31 0 0 0 0 0 0 0 0999 V2000 1.5738 3.9171 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 2.5815 -0.3996 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 1.2911 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 0.4400 -0.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 0.7304 -1.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2728 -0.6369 -1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -1.0144 -2.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 -2.3513 -3.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 -3.2779 -2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 -2.9224 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -1.5540 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 -1.1424 0.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 -0.8329 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -1.5513 1.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -0.8917 0.4506 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 0.3967 2.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 1.5354 2.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3555 4.6235 -0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 4.1362 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 4.2933 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 2.4264 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -0.2478 -3.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -2.6372 -3.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -4.3271 -2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 -3.6542 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -1.4353 2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -1.3816 2.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -2.6033 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 1.6902 3.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 2.3283 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 2.0716 2.5912 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 3 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 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 11 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 13 26 1 0 14 27 1 0 14 28 1 0 17 29 1 0 17 30 1 0 17 31 1 0 M END