HMDB0014362 RDKit 3D Bethanidine 28 28 0 0 0 0 0 0 0 0999 V2000 -3.5634 -1.7368 0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -1.3029 0.8557 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 -0.4188 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 0.1899 -0.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 1.5657 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -0.0566 -0.0535 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 -0.9596 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.2782 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.3267 -1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 0.3083 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 1.0183 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 1.0714 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 0.4374 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 -2.3373 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 -0.9282 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -2.4591 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 -0.3858 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 2.2789 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 1.8698 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1695 1.6911 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 0.8992 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -1.8842 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 -1.1790 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.8948 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 0.2380 -2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 1.4850 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 1.6244 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 0.4706 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 M END