HMDB0252244 RDKit 3D N-[(1-Chloro-4-hydroxyisoquinolin-3-YL)carbonyl]glycine 28 29 0 0 0 0 0 0 0 0999 V2000 -3.8084 0.9065 -1.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 0.5363 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 0.8774 -0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9365 -0.2640 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 -0.4724 0.5531 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 0.6119 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2204 1.7715 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 0.5896 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 1.7718 0.2475 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 1.9362 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 3.4989 0.0382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 0.8006 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 0.9398 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -0.1992 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 -1.4486 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 -1.5952 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 -0.4424 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 -0.5484 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -1.7636 0.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4123 0.6091 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1543 0.2606 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 -1.2475 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 -1.4417 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 1.9376 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6903 -0.0655 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 -2.3614 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -2.5701 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -2.6278 0.0712 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 8 1 0 17 12 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 13 24 1 0 14 25 1 0 15 26 1 0 16 27 1 0 19 28 1 0 M END