HMDB0006543 RDKit 3D Debrisoquine 26 27 0 0 0 0 0 0 0 0999 V2000 -3.5501 -0.4216 -1.0389 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 0.2745 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3554 1.4150 0.3513 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.0994 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 -1.4654 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 -1.8219 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -0.7170 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -1.0170 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 0.0299 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 1.3562 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 1.5915 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8848 0.5890 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5252 0.9227 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -1.2677 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 1.5188 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 2.1589 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 -2.1019 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.6492 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6988 -2.7086 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.0942 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -2.0566 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 -0.1627 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 2.1480 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 2.6439 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 1.0712 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 1.8637 -0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 4 1 0 12 7 1 0 1 14 1 0 3 15 1 0 3 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 13 26 1 0 M END