@MOLECULE pcb 126 / pecdf mixture 21 23 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7482 -2.6772 0.0002 Cl 1 UNL1111111111 0.0288 2 CL 3.7453 2.6117 0.0004 Cl 1 UNL1111111111 -0.0178 3 CL 4.7856 -0.3023 0.0005 Cl 1 UNL1111111111 0.0173 4 CL -4.7093 1.8721 0.0000 Cl 1 UNL1111111111 -0.0266 5 CL -5.2103 -1.1945 0.0012 Cl 1 UNL1111111111 -0.0164 6 O -0.1394 -1.7105 -0.0011 O.2 1 UNL1111111111 -0.1564 7 C 0.3921 0.5622 -0.0007 C.ar 1 UNL1111111111 -0.0632 8 C -1.0498 0.4386 -0.0009 C.ar 1 UNL1111111111 -0.0906 9 C 0.8814 -0.7736 -0.0005 C.ar 1 UNL1111111111 0.1374 10 C -1.3086 -0.9606 -0.0011 C.ar 1 UNL1111111111 0.1715 11 C 1.2855 1.6213 -0.0002 C.ar 1 UNL1111111111 -0.1001 12 C -2.1114 1.3294 -0.0006 C.ar 1 UNL1111111111 -0.0819 13 C 2.2318 -1.0723 -0.0004 C.ar 1 UNL1111111111 -0.0822 14 C -2.5784 -1.5085 -0.0007 C.ar 1 UNL1111111111 -0.2111 15 C 2.6456 1.3147 0.0001 C.ar 1 UNL1111111111 -0.0424 16 C 3.1198 0.0024 -0.0001 C.ar 1 UNL1111111111 -0.0118 17 C -3.3967 0.7896 -0.0004 C.ar 1 UNL1111111111 -0.0624 18 C -3.6237 -0.5869 -0.0001 C.ar 1 UNL1111111111 0.0313 19 H 0.9322 2.6546 0.0001 H 1 UNL1111111111 0.1895 20 H -1.9422 2.4076 -0.0003 H 1 UNL1111111111 0.1853 21 H -2.7421 -2.5860 -0.0005 H 1 UNL1111111111 0.2018 @BOND 1 1 13 1 2 2 15 1 3 3 16 1 4 4 17 1 5 5 18 1 6 6 9 ar 7 6 10 ar 8 7 8 ar 9 7 9 ar 10 7 11 ar 11 8 10 ar 12 8 12 ar 13 9 13 ar 14 10 14 ar 15 11 15 ar 16 11 19 1 17 12 17 ar 18 12 20 1 19 13 16 ar 20 14 18 ar 21 14 21 1 22 15 16 ar 23 17 18 ar