HMDB0011167 RDKit 3D L-beta-aspartyl-L-phenylalanine 36 36 0 0 0 0 0 0 0 0999 V2000 4.2773 0.2570 2.3024 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 0.8427 1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 1.1312 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -0.1783 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -1.0665 1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -0.3344 0.0595 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -0.4976 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -0.1126 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -0.2314 -0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 -1.4223 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 -1.5365 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 -0.5138 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7355 0.6712 -1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 0.8057 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 -1.8597 -1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 -2.8325 -1.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -2.0169 -1.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9547 2.1168 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 2.7592 -0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 2.5267 1.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -0.6900 2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 0.8627 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 0.1439 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3404 1.7326 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 1.7070 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.5928 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 0.1464 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.7157 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 0.9476 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -2.2460 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3797 -2.4878 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4543 -0.5698 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 1.4820 -1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 1.7461 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 -2.5159 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 3.5420 1.8764 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 15 17 1 0 2 18 1 0 18 19 2 0 18 20 1 0 14 9 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 17 35 1 0 20 36 1 0 M END