HMDB0259169 RDKit 3D trichlormethine 22 21 0 0 0 0 0 0 0 0999 V2000 -1.9345 3.1548 0.4310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 1.6085 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 1.0692 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 -0.1641 -0.2809 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -0.3181 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 0.6061 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 0.2259 -0.0329 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 -1.3629 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -1.6498 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 -3.2438 0.7535 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 0.9795 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 1.9522 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 1.8546 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 1.0019 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.1205 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 -1.3727 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 1.6631 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 0.4467 -1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -2.2630 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2935 -1.3269 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 -0.9541 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0754 -1.7866 -1.1026 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 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 M END