HMDB0028683 RDKit 3D Alanylaspartic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -2.9870 0.7829 0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 -0.5752 0.3647 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9166 -1.6010 1.1794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 -0.5587 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.3919 1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 0.3525 -0.1705 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.3643 -0.0236 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1082 0.1655 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -1.1117 -1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 -1.9316 -1.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -1.4434 -3.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 1.6749 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 2.5745 0.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1225 1.9567 0.7965 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 1.4602 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 0.6195 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 1.2047 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 -0.8675 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 -2.0146 0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -2.3119 1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 1.0376 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 -0.4200 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 0.1684 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 1.0505 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 -1.8609 -3.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5452 2.6760 0.2201 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 2 0 9 11 1 0 7 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 6 3 19 1 0 3 20 1 0 6 21 1 0 7 22 1 1 8 23 1 0 8 24 1 0 11 25 1 0 14 26 1 0 M END