HMDB0059721 RDKit 3D mono-Benzyl malonate 24 24 0 0 0 0 0 0 0 0999 V2000 4.3204 -0.1447 -1.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 0.3388 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3971 1.0548 0.3846 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 0.1618 0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -0.6752 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 -1.7250 -0.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 -0.3054 0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -1.1085 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 -0.4576 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 -0.5104 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 0.1100 1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 0.7855 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 0.8501 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 0.2139 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 2.0769 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 1.1428 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -0.3620 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -2.1009 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -1.2876 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -1.0434 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 0.0632 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 1.2702 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 1.3862 -2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 0.2665 -2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 3 15 1 0 4 16 1 0 4 17 1 0 8 18 1 0 8 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 13 23 1 0 14 24 1 0 M END