@MOLECULE 4,4'-pcb 22 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8221 1.0560 -0.6108 C.ar 1 UNL11111111 -0.1673 2 C -1.4292 1.0516 -0.6029 C.ar 1 UNL11111111 -0.1286 3 C -0.7338 0.0005 0.0028 C.ar 1 UNL11111111 -0.0246 4 C -1.4301 -1.0493 0.6099 C.ar 1 UNL11111111 -0.1285 5 C -2.8229 -1.0543 0.6129 C.ar 1 UNL11111111 -0.1674 6 C -3.4869 0.0003 -0.0003 C.ar 1 UNL11111111 0.0269 7 C 1.4302 1.0503 0.6084 C.ar 1 UNL11111111 -0.1285 8 C 2.8230 1.0541 0.6124 C.ar 1 UNL11111111 -0.1674 9 C 3.4870 -0.0003 -0.0009 C.ar 1 UNL11111111 0.0269 10 C 2.8218 -1.0555 -0.6115 C.ar 1 UNL11111111 -0.1674 11 C 1.4288 -1.0510 -0.6044 C.ar 1 UNL11111111 -0.1285 12 C 0.7340 -0.0002 0.0024 C.ar 1 UNL11111111 -0.0246 13 CL 5.1985 -0.0000 -0.0030 Cl 1 UNL11111111 -0.0872 14 CL -5.1984 -0.0007 -0.0036 Cl 1 UNL11111111 -0.0873 15 H -3.3689 1.8703 -1.0857 H 1 UNL11111111 0.1737 16 H -0.8788 1.8649 -1.0764 H 1 UNL11111111 0.1647 17 H -0.8808 -1.8617 1.0861 H 1 UNL11111111 0.1647 18 H -3.3707 -1.8687 1.0869 H 1 UNL11111111 0.1737 19 H 0.8809 1.8631 1.0837 H 1 UNL11111111 0.1647 20 H 3.3707 1.8682 1.0871 H 1 UNL11111111 0.1736 21 H 3.3682 -1.8701 -1.0867 H 1 UNL11111111 0.1737 22 H 0.8785 -1.8642 -1.0780 H 1 UNL11111111 0.1647 @BOND 1 16 2 1 2 15 1 1 3 1 2 ar 4 1 6 ar 5 2 3 ar 6 20 8 1 7 19 7 1 8 8 7 ar 9 8 9 ar 10 7 12 ar 11 13 9 1 12 9 10 ar 13 12 3 1 14 12 11 ar 15 3 4 ar 16 6 14 1 17 6 5 ar 18 10 11 ar 19 10 21 1 20 11 22 1 21 4 5 ar 22 4 17 1 23 5 18 1