@MOLECULE 4,5,6-trichloroguaiacol 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.0185 2.6212 -0.0011 Cl 1 UNL1111111111 -0.0114 2 CL 1.2051 -2.7404 0.0003 Cl 1 UNL1111111111 -0.0276 3 CL 2.6780 0.0067 -0.0003 Cl 1 UNL1111111111 0.0042 4 O -3.1596 -0.1002 0.0019 O.3 1 UNL1111111111 -0.2355 5 O -1.9665 2.1467 0.0014 O.3 1 UNL1111111111 -0.3984 6 C -1.8107 -0.1939 0.0013 C.ar 1 UNL1111111111 0.1812 7 C -1.1502 1.0714 0.0010 C.ar 1 UNL1111111111 0.1791 8 C -1.0652 -1.3637 0.0010 C.ar 1 UNL1111111111 -0.2668 9 C 0.2362 1.1146 0.0008 C.ar 1 UNL1111111111 -0.1209 10 C 0.3298 -1.2821 0.0001 C.ar 1 UNL1111111111 0.0044 11 C 0.9849 -0.0661 -0.0004 C.ar 1 UNL1111111111 -0.0534 12 C -3.8813 -1.3286 -0.0041 C.3 1 UNL1111111111 -0.2192 13 H -1.5515 -2.3395 0.0032 H 1 UNL1111111111 0.1914 14 H -3.6755 -1.9040 -0.9118 H 1 UNL1111111111 0.1400 15 H -4.9219 -0.9724 -0.0047 H 1 UNL1111111111 0.1608 16 H -3.6786 -1.9101 0.9005 H 1 UNL1111111111 0.1399 17 H -1.4644 3.0073 0.0012 H 1 UNL1111111111 0.3323 @BOND 1 1 9 1 2 2 10 1 3 3 11 1 4 4 6 1 5 4 12 1 6 5 7 1 7 5 17 1 8 6 7 ar 9 6 8 ar 10 7 9 ar 11 8 10 ar 12 8 13 1 13 9 11 ar 14 10 11 ar 15 12 14 1 16 12 15 1 17 12 16 1