HMDB0015051 RDKit 3D Amantadine 28 30 0 0 0 0 0 0 0 0999 V2000 2.6062 0.0063 0.7795 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 0.0736 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -0.3921 1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -0.3633 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 -1.3431 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4392 -0.8979 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 0.5047 -1.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 1.4403 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 0.9774 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 1.4671 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -0.9108 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 -0.1077 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -0.9188 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.4654 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.2233 2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7593 -0.6584 1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -2.3059 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -1.5119 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 -1.5739 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 0.6416 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 0.7791 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 2.4542 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 1.7290 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 0.8178 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 2.0374 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 2.0121 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 -1.9338 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 -0.7813 -1.5781 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 7 8 1 0 8 9 1 0 8 10 1 0 6 11 1 0 10 2 1 0 11 2 1 0 9 4 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 M END