@MOLECULE 4-chloroguaiacol 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.9173 -0.4909 -0.0005 Cl 1 UNL1111111111 -0.0868 2 O 2.1698 -1.0558 -0.0648 O.3 1 UNL1111111111 -0.3346 3 O 2.4951 1.6210 0.0069 O.3 1 UNL1111111111 -0.4428 4 C 1.0247 -0.3200 -0.0252 C.ar 1 UNL1111111111 0.1273 5 C 1.2521 1.0772 -0.0001 C.ar 1 UNL1111111111 0.1905 6 C -0.2720 -0.8137 -0.0272 C.ar 1 UNL1111111111 -0.2515 7 C 0.1885 1.9732 0.0195 C.ar 1 UNL1111111111 -0.1788 8 C -1.3153 0.1107 -0.0034 C.ar 1 UNL1111111111 0.0191 9 C -1.1192 1.4813 0.0183 C.ar 1 UNL1111111111 -0.1675 10 C 2.0293 -2.4642 0.0689 C.3 1 UNL1111111111 -0.1859 11 H -0.4751 -1.8817 -0.0480 H 1 UNL1111111111 0.1814 12 H 0.3872 3.0448 0.0383 H 1 UNL1111111111 0.1837 13 H -1.9606 2.1741 0.0350 H 1 UNL1111111111 0.1772 14 H 3.0761 -2.7994 0.0704 H 1 UNL1111111111 0.1549 15 H 1.4936 -2.8818 -0.7901 H 1 UNL1111111111 0.1380 16 H 1.5404 -2.7230 1.0136 H 1 UNL1111111111 0.1382 17 H 3.1951 0.9173 0.0127 H 1 UNL1111111111 0.3377 @BOND 1 1 8 1 2 2 4 1 3 2 10 1 4 3 5 1 5 3 17 1 6 4 5 ar 7 4 6 ar 8 5 7 ar 9 6 8 ar 10 6 11 1 11 7 9 ar 12 7 12 1 13 8 9 ar 14 9 13 1 15 10 14 1 16 10 15 1 17 10 16 1