HMDB0028731 RDKit 3D Asparaginylglycine 24 23 0 0 0 0 0 0 0 0999 V2000 -4.3054 -0.1838 -0.4666 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 0.6601 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 1.6138 0.5781 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 0.4160 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 -0.3278 0.1206 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8994 0.5252 1.2717 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -0.6946 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 -1.4169 -1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -0.2042 0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 -0.5379 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 0.0821 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 0.7929 1.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 -0.0956 -0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 -0.0054 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 -0.9863 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -0.2524 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 1.3503 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 -1.2552 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 1.3801 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 -0.0219 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 0.4092 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -0.2444 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.6625 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7841 0.6591 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 4 17 1 0 5 18 1 1 6 19 1 0 6 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 13 24 1 0 M END