HMDB0254109 RDKit 3D Linuron 25 25 0 0 0 0 0 0 0 0999 V2000 -3.7123 -1.0288 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -0.5413 -0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 0.6364 -0.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 1.7536 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 0.8192 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 1.9149 0.5818 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 -0.3011 -0.1168 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -0.3235 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 0.5880 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 0.5216 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2114 -0.4294 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 -0.5285 0.5431 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -1.3185 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -2.5469 -1.3113 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -1.2802 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0211 -0.3840 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -1.1769 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 -2.0316 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 2.0597 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 1.5515 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6787 2.6276 -0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -1.1877 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 1.3515 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 1.2425 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -1.9883 -1.2096 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 15 25 1 0 M END