HMDB0032020 RDKit 3D Epinine 25 25 0 0 0 0 0 0 0 0999 V2000 -4.1598 0.1625 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 0.3779 0.3947 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -0.0246 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 0.2555 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5654 -0.1164 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -1.3699 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -1.6911 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 -0.7245 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -1.0142 -0.4284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 0.5318 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4748 1.5169 -0.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 0.8102 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 -0.7050 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4245 1.0492 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -0.1583 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 1.3691 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4955 0.5818 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -1.0948 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -0.2149 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.3528 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 -2.1170 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 -2.6680 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -0.3622 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 2.4280 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 1.8254 -0.1615 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 12 5 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 M END