HMDB0000244 RDKit 3D Riboflavin 47 49 0 0 0 0 0 0 0 0999 V2000 4.5779 -2.3163 1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -1.4736 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 -0.1066 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 0.7205 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 2.0538 0.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 2.9100 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0187 4.2765 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 4.7839 0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 5.0504 -0.1972 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 4.5229 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 5.3224 -1.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 3.1986 -0.7247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 2.3189 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 0.9800 -0.4146 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 0.5316 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.4044 0.2075 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5609 -0.4759 1.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 0.2491 -0.3813 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3146 0.3358 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4187 -0.9685 -1.2228 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6592 -0.8027 -1.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5423 -2.2320 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -2.6276 0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 0.1958 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -1.1649 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -1.9822 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 -3.4574 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -3.3040 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -1.8007 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -2.3702 2.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.3092 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1247 6.0903 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 1.3394 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -0.3501 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 1.4581 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.1967 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 1.1620 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3938 1.2301 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -1.0677 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 -1.4424 -2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -3.0549 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -2.1329 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -3.0852 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 -1.5688 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -3.9864 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 -3.6599 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 -3.8158 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 14 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 2 1 0 24 4 2 0 13 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 9 32 1 0 15 33 1 0 15 34 1 0 16 35 1 1 17 36 1 0 18 37 1 6 19 38 1 0 20 39 1 6 21 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 25 44 1 0 27 45 1 0 27 46 1 0 27 47 1 0 M END