@MOLECULE (2s)-2-acetamido-5-amino-5-oxopentanoate 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.3732 2.4817 -0.0845 C.3 1 UNL1 0.3055 2 C 2.6731 1.3195 -0.0158 C.2 1 UNL1 0.0692 3 N 1.2413 1.3479 -0.0192 N.am 1 UNL1 -0.0259 4 C 0.1133 1.0652 -0.0070 C.1 1 UNL1 0.2123 5 C -1.2158 0.7705 0.0074 C.1 1 UNL1 0.0315 6 C -2.3982 0.4809 0.0229 C.3 1 UNL1 0.0346 7 C -3.7385 0.1556 0.0424 C.2 1 UNL1 0.2591 8 N -4.9834 0.3614 0.2040 N.2 1 UNL1 -0.1014 9 O -4.4709 -0.9990 -0.2226 O.2 1 UNL1 -0.1735 10 C 2.0208 -1.9196 0.0120 C.1 1 UNL1 0.7281 11 O 3.0040 -2.5411 0.0559 O.2 1 UNL1 -0.2934 12 O 0.9712 -1.3915 -0.0337 O.2 1 UNL1 -0.4451 13 O 3.1502 0.1668 0.0556 O.2 1 UNL1 -0.6009 @BOND 1 9 7 1 2 9 8 1 3 1 2 1 4 12 10 2 5 3 2 am 6 3 4 1 7 2 13 2 8 4 5 3 9 5 6 1 10 10 11 2 11 6 7 1 12 7 8 2