HMDB0005015 RDKit 3D Gabapentin 29 29 0 0 0 0 0 0 0 0999 V2000 1.6023 -2.1244 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 -1.1746 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 -0.0246 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 0.8404 0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 0.2593 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -0.8997 1.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 0.9822 2.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 0.9072 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 0.3961 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6001 0.7414 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 0.3815 1.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 -0.6080 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -2.9122 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -2.5658 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2743 -0.8256 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 -1.7133 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 1.7437 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 1.3350 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 1.3427 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 1.0085 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 1.9117 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 -0.6896 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 0.9821 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5665 0.2096 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 1.8529 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 1.2360 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -0.2004 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 -0.9526 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 -1.4394 0.6902 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 5 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 3 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 M END