HMDB0059934 RDKit 3D Benzyl glycinate 23 23 0 0 0 0 0 0 0 0999 V2000 3.7572 -1.2982 -0.3072 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -0.0468 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 0.2283 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -0.6310 -1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 1.3601 -0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 1.6695 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 0.7293 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9723 -0.2811 0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -1.1481 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 -1.0202 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -0.0068 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 0.8734 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 -1.2651 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -2.1105 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 0.7768 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.0042 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 2.7039 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 1.7942 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -0.4308 1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -1.9337 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0086 -1.7199 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 0.1169 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 1.6441 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 6 17 1 0 6 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 M END