@MOLECULE phenylazide 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 1.4373 0.0069 -0.7338 N.2 1 UNL1 -0.4389 2 N 2.3788 -0.0000 0.0801 N.2 1 UNL1 0.4338 3 N 3.3755 -0.0039 0.6264 N.2 1 UNL1 -0.2087 4 C 0.0793 0.0023 -0.2949 C.ar 1 UNL1 0.1290 5 C -0.5960 1.2196 -0.1478 C.ar 1 UNL1 -0.1566 6 C -0.5915 -1.2179 -0.1513 C.ar 1 UNL1 -0.1572 7 C -1.9563 1.2076 0.1472 C.ar 1 UNL1 -0.1378 8 C -1.9520 -1.2111 0.1431 C.ar 1 UNL1 -0.1377 9 C -2.6322 -0.0032 0.2950 C.ar 1 UNL1 -0.1353 10 H -0.0625 2.1605 -0.2766 H 1 UNL1 0.1690 11 H -0.0552 -2.1568 -0.2825 H 1 UNL1 0.1689 12 H -2.4942 2.1483 0.2608 H 1 UNL1 0.1581 13 H -2.4865 -2.1541 0.2532 H 1 UNL1 0.1581 14 H -3.6962 -0.0055 0.5277 H 1 UNL1 0.1552 @BOND 1 1 4 1 2 1 2 2 3 4 6 ar 4 4 5 ar 5 11 6 1 6 10 5 1 7 6 8 ar 8 5 7 ar 9 2 3 2 10 8 13 1 11 8 9 ar 12 7 12 1 13 7 9 ar 14 9 14 1