HMDB0028697 RDKit 3D Alanylthreonine 27 26 0 0 0 0 0 0 0 0999 V2000 3.0628 0.0176 -1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 0.0971 0.0121 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6165 -1.1353 0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 0.6419 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 1.7356 -0.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 0.0015 0.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 0.6021 0.5034 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8254 0.8583 1.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 0.5539 2.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 1.4271 2.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 -0.2773 -0.2375 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8273 -0.5123 -1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -1.5068 0.3584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.1556 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5386 -0.9755 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 0.7886 -1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1452 0.8536 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 -1.2912 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -1.9015 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 -0.8838 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 1.5642 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 2.1023 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 0.2993 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -1.4633 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 0.3367 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 -0.5829 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 -1.5058 1.3349 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 2 0 8 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 1 3 18 1 0 3 19 1 0 6 20 1 0 7 21 1 6 10 22 1 0 11 23 1 6 12 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 M END