HMDB0028682 RDKit 3D Alanylasparagine 27 26 0 0 0 0 0 0 0 0999 V2000 2.9122 -0.4154 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -1.3378 -0.3407 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4574 -2.0543 -1.4518 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -0.5518 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4009 -0.5751 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 0.2503 0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 1.0465 -0.3021 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3420 0.7922 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 -0.6247 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0477 -1.5342 -0.2975 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.0167 1.1746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 2.4863 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 2.8381 0.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 3.4515 -0.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.0805 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -0.9794 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1136 0.4786 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 -2.0720 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -2.9371 -1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -1.4778 -1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 0.2807 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 0.9068 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0841 1.0734 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2058 1.4239 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 -2.2538 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -1.4947 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 4.3771 -0.7919 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 9 11 2 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 1 3 19 1 0 3 20 1 0 6 21 1 0 7 22 1 6 8 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 14 27 1 0 M END