REGNO:119426 METABOLOMICS WORKBENCH STRUCTURE 36 35 0 0 0 999 V2000 1.2872 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 1.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3059 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0935 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9610 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8284 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6959 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6158 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2161 -1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -0.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9477 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8106 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9536 -2.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 5 4 1 0 0 0 4 6 2 0 0 0 4 7 1 0 0 0 5 2 1 0 0 0 3 8 1 0 0 0 8 9 1 0 0 0 7 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 1 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 9 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 24 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 M END