HMDB0014987 RDKit 3D Methylphenobarbital 32 33 0 0 0 0 0 0 0 0999 V2000 0.4007 2.9672 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 1.8833 -0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 0.6401 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1798 -0.3900 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 -0.3881 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -1.3981 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 -2.4509 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 -2.4601 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.4577 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 1.0723 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4612 1.9488 1.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 0.5080 1.9989 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -0.2075 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -0.6913 1.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 -0.3780 -0.1249 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1977 -1.1151 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 0.1805 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 0.2905 -2.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 3.9490 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 2.9573 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 2.7485 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 2.2711 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8676 1.6238 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 0.4057 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0739 -1.3418 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -3.1998 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 -3.2828 1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 -1.5051 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 0.6182 3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 -0.5013 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -2.1080 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 -1.1884 -1.9115 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 3 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 3 1 0 9 4 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 16 30 1 0 16 31 1 0 16 32 1 0 M END