HMDB0015305 RDKit 3D Phenobarbital 29 30 0 0 0 0 0 0 0 0999 V2000 0.9329 2.1904 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 0.8450 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 -0.2650 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -0.0391 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -0.0775 1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 0.1071 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 0.3383 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 0.3783 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 0.1927 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -1.4983 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 -2.1843 1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -1.9120 0.9072 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0425 -1.5843 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -1.9286 0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -0.8584 -1.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 -0.4641 -1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -0.3556 -2.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 2.2530 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 2.9547 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 2.3946 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 0.6566 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 0.7984 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 -0.2423 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 0.0796 2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8066 0.4879 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7162 0.5591 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 0.2243 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -2.4436 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 -0.6068 -1.9670 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 16 17 2 0 16 3 1 0 9 4 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 12 28 1 0 15 29 1 0 M END