HMDB0028727 RDKit 3D Asparaginylaspartic acid 30 29 0 0 0 0 0 0 0 0999 V2000 3.8221 -0.4943 -2.3227 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 -0.5567 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.3181 -1.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 0.2740 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 0.1592 0.9991 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9222 -1.1529 1.5472 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.7664 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 1.9328 0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 0.0160 0.8336 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7217 0.5700 0.4696 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3121 -0.3747 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -0.0381 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 0.9624 -0.7923 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1913 -0.9548 -1.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 0.6315 1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 0.2432 2.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8137 1.1150 1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.1422 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 0.1701 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 0.0419 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 1.3478 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 0.8025 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 -1.7621 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -1.5833 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 -0.9317 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6263 1.5654 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -0.4475 -1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 -1.3712 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -0.5811 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 2.1104 1.7472 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 2 0 12 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 4 21 1 0 5 22 1 1 6 23 1 0 6 24 1 0 9 25 1 0 10 26 1 6 11 27 1 0 11 28 1 0 14 29 1 0 17 30 1 0 M END