HMDB0028746 RDKit 3D Aspartyl-Alanine 26 25 0 0 0 0 0 0 0 0999 V2000 -3.1121 -0.7287 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 0.0699 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 0.0316 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -0.9215 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0592 -1.8882 0.7791 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.8583 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 -2.0803 -0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 0.3533 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 0.6003 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -0.1858 1.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 1.8886 0.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 1.3964 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 2.0803 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4336 2.0220 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -0.1081 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -1.3280 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -1.4757 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -0.5426 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 0.8897 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.9309 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 -2.2232 0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -2.1217 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 1.2780 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 0.3701 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 2.6815 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 1.7314 -1.1240 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 2 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 0 3 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 14 26 1 0 M END