@MOLECULE l-azaserine 12 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 4.1855 -0.0505 -0.0345 N.3 1 UNL1 0.3516 2 N 5.2932 -0.4108 -0.0664 N.3 1 UNL1 -0.1049 3 C -4.1707 0.5786 0.0031 C.1 1 UNL1 0.6509 4 C 3.0346 0.3387 -0.0029 C.3 1 UNL1 -0.2820 5 C -1.0355 -1.5536 -0.0285 C.1 1 UNL1 -0.1019 6 C 1.7122 0.7829 0.0438 C.2 1 UNL1 0.6919 7 C -0.4190 -0.2148 -0.0427 C.3 1 UNL1 0.4555 8 O -4.0885 0.4352 1.1594 O.2 1 UNL1 -0.3253 9 O 0.8885 -0.3704 0.0292 O.3 1 UNL1 -0.4913 10 O 1.2617 1.8852 0.0979 O.2 1 UNL1 -0.3435 11 N -1.6483 -2.5338 -0.0287 N.1 1 UNL1 -0.1753 12 O -4.2574 0.7233 -1.1528 O.2 1 UNL1 -0.3256 @BOND 1 12 3 2 2 2 1 1 3 7 5 1 4 7 9 1 5 1 4 1 6 11 5 3 7 4 6 1 8 3 8 2 9 9 6 1 10 6 10 2