@MOLECULE aviglycine 13 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0252 0.3889 0.0298 O.2 1 UNL1 -0.3666 2 O -4.4127 -1.4572 0.1089 O.2 1 UNL1 -0.2974 3 O -2.1211 -1.0421 -0.0721 O.2 1 UNL1 -0.3770 4 N -2.4529 1.9847 -0.0613 N.1 1 UNL1 -0.2481 5 N 5.1758 -0.7213 0.1249 N.1 1 UNL1 -0.1567 6 C -1.3082 1.8218 0.0079 C.1 1 UNL1 0.1435 7 C 2.5816 -0.7905 -0.1857 C.3 1 UNL1 0.3863 8 C 0.0887 1.6274 0.0999 C.2 1 UNL1 -0.2519 9 C 4.0266 -0.6732 0.0050 C.1 1 UNL1 -0.0942 10 C 0.6413 0.4241 -0.1073 C.2 1 UNL1 0.1869 11 C -3.2718 -1.2386 0.0181 C.1 1 UNL1 0.6741 12 H 0.6909 2.5114 0.3536 H 1 UNL1 0.2113 13 H 0.1687 -0.5229 -0.3623 H 1 UNL1 0.1897 @BOND 1 13 10 1 2 7 9 1 3 7 1 1 4 10 1 1 5 10 8 2 6 3 11 2 7 4 6 3 8 9 5 3 9 6 8 1 10 11 2 2 11 8 12 1