HMDB0014386 RDKit 3D Butalbital 32 32 0 0 0 0 0 0 0 0999 V2000 -2.3774 2.7450 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 1.4264 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 0.6611 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 -0.0643 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 1.0650 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 0.7139 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 -0.0052 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -0.0434 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 -0.6900 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 0.0459 -2.5108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -2.0668 -1.7174 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.9414 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 -4.1628 -0.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 -2.3680 0.6976 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 -0.9792 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 -0.5673 2.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 3.3641 1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3133 3.2705 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 0.9792 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 1.3432 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 -0.0818 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 1.6848 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 1.7107 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 1.6901 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -1.0002 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 0.6801 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -0.2222 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 -1.1160 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 0.4601 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -0.0293 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5323 -2.4894 -2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -3.0129 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 4 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 11 31 1 0 14 32 1 0 M END