HMDB0028796 RDKit 3D Glutaminylglutamic acid 36 35 0 0 0 0 0 0 0 0999 V2000 5.2374 2.2838 0.4171 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 1.4289 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 1.9504 1.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 0.0072 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 -0.5863 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 -0.0361 -0.5121 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6421 1.3465 -0.3579 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 -0.8472 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -2.1086 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -0.3348 -0.3425 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 -1.1968 -0.3174 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6697 -1.1389 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 0.1736 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 0.7141 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 1.5423 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4949 0.2576 0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7036 -1.0765 -1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 -0.3215 -2.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8852 -1.7778 -1.6788 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2159 1.9425 0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 3.2190 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 -0.5066 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.2402 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8254 -1.7130 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 -0.4002 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -0.2997 -1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 1.9733 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.6870 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.6874 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -2.2540 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 -1.5217 1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 -1.9091 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.9424 1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 0.0661 2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2248 0.7507 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 -2.7038 -2.0509 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 6 7 1 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 14 15 2 0 14 16 1 0 11 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 6 7 27 1 0 7 28 1 0 10 29 1 0 11 30 1 6 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 16 35 1 0 19 36 1 0 M END