HMDB0031800 RDKit 3D Mecarbam 39 38 0 0 0 0 0 0 0 0999 V2000 6.0587 0.1853 1.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 0.9344 0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 0.0483 0.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 0.3799 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2853 1.5604 -0.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -0.5352 -0.9747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -1.8769 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 -0.2084 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -1.0639 -2.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 1.1431 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7015 1.3184 -1.8370 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 0.0661 -0.6899 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0076 -0.8078 -1.7736 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 0.9798 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 2.3191 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 3.1669 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 -1.0463 0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5971 -2.3433 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7923 -3.3260 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 0.3515 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 0.5717 2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8115 -0.8948 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 1.8185 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 1.3292 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -2.3460 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 -2.4561 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -1.7350 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 1.8603 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 1.3087 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 2.6714 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 2.3968 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1616 2.5229 1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 3.9567 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6567 3.6028 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -2.3312 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 -2.6821 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -2.8340 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -3.9689 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -4.0364 1.4525 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 10 28 1 0 10 29 1 0 15 30 1 0 15 31 1 0 16 32 1 0 16 33 1 0 16 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 M END