@MOLECULE (2s)-2-amino-5-carbamimidamido-4-hydroxypentanoic acid 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0713 0.2521 0.2880 O.2 1 UNL1 0.2329 2 O 1.3872 0.9926 0.7042 O.2 1 UNL1 -0.0643 3 O 2.1458 2.9818 -0.5746 O.3 1 UNL1 -0.1474 4 N -0.7305 -3.1336 -0.4333 N.1 1 UNL1 -0.0962 5 N 3.2283 -1.7138 -0.1914 N.1 1 UNL1 -0.1609 6 N -2.3387 -0.2330 0.4230 N.4 1 UNL1 -0.4219 7 N -4.1042 1.3624 -0.3790 N.1 1 UNL1 -0.2575 8 C -0.1601 -0.6774 0.0895 C.2 1 UNL1 0.1366 9 C 1.1827 -0.2452 0.3223 C.2 1 UNL1 -0.0548 10 C 2.3014 -1.0561 0.0267 C.1 1 UNL1 0.0720 11 C -0.4710 -2.0327 -0.1925 C.1 1 UNL1 0.0654 12 C 1.7042 2.0479 -0.0972 C.3 1 UNL1 0.4969 13 C -3.2355 0.6692 -0.0280 C.1 1 UNL1 0.1991 @BOND 1 3 12 1 2 4 11 3 3 7 13 3 4 11 8 1 5 5 10 3 6 12 2 1 7 13 6 1 8 10 9 1 9 8 1 1 10 8 9 2 11 1 6 1 12 9 2 1