HMDB0060974 RDKit 3D cycloguanil 31 32 0 0 0 0 0 0 0 0999 V2000 -1.8933 -0.5551 -1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.4375 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 -1.8059 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 0.1837 0.6611 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5859 1.5573 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7454 2.0257 0.7823 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 2.3868 -0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 1.8156 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 2.5618 -0.8989 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 0.4244 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1915 -0.0398 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -0.4481 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 -0.9044 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -0.9688 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 -1.5476 0.8239 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0169 -0.5656 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -0.1108 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7328 0.4333 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -1.4015 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 -0.6851 -1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -1.6979 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 -2.2653 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -2.4337 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -0.3677 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 1.3656 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 3.4085 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 2.1042 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -0.3876 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 -1.2206 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 -0.6267 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.2029 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 3 5 7 1 0 7 8 1 0 8 9 2 3 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 2 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 12 28 1 0 13 29 1 0 16 30 1 0 17 31 1 0 M END