HMDB0015444 RDKit 3D Hexobarbital 33 34 0 0 0 0 0 0 0 0999 V2000 4.0260 0.6235 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8071 0.7167 -0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 1.3609 1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 1.8473 1.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 1.4386 1.8668 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4666 0.9024 1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 1.3254 1.8269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -0.1666 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 -1.4668 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 -0.3898 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 -0.0721 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -0.3838 -1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 0.3244 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 -0.4302 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -0.9764 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 0.1643 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 0.0329 -1.8856 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 0.4237 -1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -0.1741 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 1.5810 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 1.9074 2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 -1.5162 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -2.3304 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -1.3786 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 0.3682 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7404 -1.4915 -1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 -0.0550 -2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 0.3481 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 1.3587 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -1.2331 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 0.2786 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 -0.8480 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 -2.0894 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 8 16 1 0 16 17 2 0 16 2 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 M END