HMDB0029628 RDKit 3D Chlorthal 18 18 0 0 0 0 0 0 0 0999 V2000 3.4521 1.2767 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.2199 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -0.9606 0.1353 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 0.1985 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 -0.9615 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 -2.4623 0.4509 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7031 -0.9789 0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -2.5289 0.6198 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 0.1962 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 0.1515 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 1.2045 0.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -1.0340 0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 1.3632 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 2.8695 -0.1499 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 1.3778 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 2.8413 -0.3098 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 -1.0820 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 -1.6908 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 4 1 0 3 17 1 0 12 18 1 0 M END