HMDB0040196 RDKit 3D Oxalic acid dibutyl ester 32 31 0 0 0 0 0 0 0 0999 V2000 -4.9195 1.4392 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9794 1.0963 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -0.3917 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1967 -0.7149 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 -0.4166 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 -0.6097 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 -1.0629 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.3170 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 0.1379 0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 -0.5160 -1.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -0.2549 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -1.0530 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 -0.7113 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 0.7859 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 0.8038 2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 2.5015 2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9524 1.2736 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 1.6384 -0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 1.3041 0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1913 -0.5962 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8433 -1.0064 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -0.0871 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 -1.8065 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5965 -0.5120 -2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 0.8259 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 -0.8489 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -2.1392 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -0.9084 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -1.3024 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 1.3225 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 1.1428 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 0.9831 1.1206 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 11 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 14 32 1 0 M END