@MOLECULE 3-azido-l-alanine 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.7144 -1.6401 -0.9154 O.3 1 UNL1 -0.5432 2 OXT -1.3276 -1.1489 1.1780 O.2 1 UNL1 -0.4945 3 N -2.2483 1.2492 -0.2630 N.3 1 UNL1 -0.6320 4 N 1.5212 1.1658 -0.1523 N.2 1 UNL1 -0.4506 5 N 2.1413 0.0993 0.0270 N.2 1 UNL1 0.4248 6 N 2.8796 -0.7632 0.0607 N.2 1 UNL1 -0.1888 7 CA -0.9206 0.6579 -0.4206 C.3 1 UNL1 -0.0353 8 C 0.1926 1.3663 0.4096 C.3 1 UNL1 -0.1450 9 C -1.0410 -0.7786 0.0720 C.2 1 UNL1 0.6166 10 HA -0.6462 0.6750 -1.5149 H 1 UNL1 0.1993 11 H 0.1159 1.0981 1.4874 H 1 UNL1 0.1619 12 H 0.0479 2.4777 0.3516 H 1 UNL1 0.1852 13 H1 -2.3311 2.1507 -0.7007 H 1 UNL1 0.2701 14 H2 -2.5582 1.2875 0.6958 H 1 UNL1 0.2710 15 H -0.8012 -2.5951 -0.6629 H 1 UNL1 0.3606 @BOND 1 10 7 1 2 1 15 1 3 1 9 1 4 13 3 1 5 7 3 1 6 7 9 1 7 7 8 1 8 3 14 1 9 4 5 2 10 4 8 1 11 5 6 2 12 9 2 2 13 12 8 1 14 8 11 1