HMDB0011164 RDKit 3D L-beta-aspartyl-L-glutamic acid 32 31 0 0 0 0 0 0 0 0999 V2000 2.6277 1.6119 2.3042 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 1.5917 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.3320 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 0.0998 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 0.9399 1.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -1.0297 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -1.2011 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4039 -1.1768 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 0.1736 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 0.3165 -2.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -0.5618 -2.6858 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 1.5096 -2.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 -2.4495 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.1658 1.7115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -2.7666 2.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 1.7180 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 1.8200 1.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 1.7299 -0.9623 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 0.6457 2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 2.0259 2.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 2.4778 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -0.5082 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 0.3763 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -1.7363 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.3505 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -1.2668 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.9914 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 0.9475 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 0.2407 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 2.3301 -2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3785 -3.5634 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 0.8810 -1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 7 13 1 0 13 14 2 0 13 15 1 0 2 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 12 30 1 0 15 31 1 0 18 32 1 0 M END