HMDB0014375 RDKit 3D Pregabalin 28 27 0 0 0 0 0 0 0 0999 V2000 2.6241 0.3574 -1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 -0.2790 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 -0.0425 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 0.1948 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 -0.2742 0.5193 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9974 -1.7712 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 -2.2333 -0.8151 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 0.3339 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 1.8342 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 2.3443 1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 2.6231 -1.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -0.2008 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 0.4590 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 1.4036 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -1.3856 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 -0.2216 2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 -0.7088 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.9918 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3365 1.3288 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 0.0271 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 0.0073 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.2043 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 -2.0336 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -2.6059 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -1.5380 -1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -0.0145 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 0.0575 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 3.5505 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 1 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 M END