HMDB0038220 RDKit 3D Fast green FCF 88 92 0 0 0 0 0 0 0 0999 V2000 -4.8750 0.0653 3.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 1.1376 2.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 1.2239 1.3209 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3084 2.1530 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6655 1.7066 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0811 0.4171 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3602 0.0825 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2035 0.9992 -0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7818 2.2954 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8388 3.4603 -1.8138 S 0 0 0 0 0 6 0 0 0 0 0 0 -9.0290 4.4626 -2.5864 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7587 2.6996 -2.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7662 4.3040 -0.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5027 2.6276 -0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 0.5270 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 0.1818 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 -0.4666 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -0.8203 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0104 -1.5508 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 17 66 1 0 21 67 1 0 22 68 1 0 25 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 26 73 1 0 27 74 1 0 27 75 1 0 29 76 1 0 30 77 1 0 31 78 1 0 37 79 1 0 38 80 1 0 39 81 1 0 41 82 1 0 42 83 1 0 44 84 1 0 49 85 1 0 50 86 1 0 51 87 1 0 52 88 1 0 M CHG 2 24 1 36 -1 M END