HMDB0028686 RDKit 3D Alanylglutamic acid 29 28 0 0 0 0 0 0 0 0999 V2000 3.5298 -1.1711 -1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 0.1622 -0.5993 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3126 0.2794 0.8112 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 0.2261 -0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1391 0.1240 -2.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 0.3988 0.2133 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7889 0.4772 0.0815 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3229 -0.6827 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 -0.7622 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 -0.9260 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 -1.8731 -1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3124 -0.0487 -1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 1.7851 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4172 2.6350 0.9948 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 2.1830 0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -1.6083 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4866 -1.0101 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 -1.8895 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 0.9617 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 1.2388 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 -0.4800 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 0.4778 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 0.3447 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 -1.6059 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -0.6040 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 -1.7163 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 0.0260 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 0.6669 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 2.3915 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 3 21 1 0 6 22 1 0 7 23 1 6 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 15 29 1 0 M END