HMDB0248870 RDKit 3D Barbital 25 25 0 0 0 0 0 0 0 0999 V2000 1.9772 -1.1725 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -1.1066 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 0.0932 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 1.4071 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 1.7874 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 -0.0366 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 0.3380 -2.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -0.5319 -1.2077 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9059 -0.7369 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 -1.1843 0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -0.4563 1.2299 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 0.0434 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 0.4571 2.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -2.2315 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -1.0486 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.5409 0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -2.0107 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 -1.2331 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2238 2.1944 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 1.3551 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 1.3203 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 1.7841 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 2.8889 0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 -0.7513 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -0.6280 2.1798 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 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 5 23 1 0 8 24 1 0 11 25 1 0 M END