HMDB0028730 RDKit 3D Asparaginylglutamic acid 33 32 0 0 0 0 0 0 0 0999 V2000 5.6256 -0.0065 -0.6162 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -0.6186 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 -1.0390 1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -0.7659 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 0.3882 -0.0212 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3177 0.3045 1.4201 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 0.3731 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 0.4253 -1.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 0.3026 0.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 0.2908 -0.5406 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1283 -1.0091 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 -1.2033 -0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -0.3234 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 -0.0165 -1.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 0.2006 0.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 1.4542 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 1.9314 1.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 2.0111 -0.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 0.0148 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 0.4538 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -1.7088 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.7808 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 1.3548 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 1.0058 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -0.6382 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 0.2577 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2731 0.3370 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 -1.1591 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 -1.8482 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.1208 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -2.2576 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9975 1.1418 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 2.2485 -1.8965 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 1 0 12 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 4 22 1 0 5 23 1 1 6 24 1 0 6 25 1 0 9 26 1 0 10 27 1 6 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 18 33 1 0 M END