@MOLECULE pcb-126 22 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5159 1.1710 -0.2552 C.ar 1 UNL11111111 0.0042 2 C -1.1337 1.2903 -0.1673 C.ar 1 UNL11111111 -0.1634 3 C -0.3734 0.1674 0.1730 C.ar 1 UNL11111111 0.0173 4 C -0.9961 -1.0594 0.4207 C.ar 1 UNL11111111 -0.1636 5 C -2.3798 -1.1472 0.3269 C.ar 1 UNL11111111 0.0057 6 C -3.1523 -0.0407 -0.0100 C.ar 1 UNL11111111 -0.0604 7 C 1.6586 1.1851 1.1694 C.ar 1 UNL11111111 -0.1283 8 C 3.0432 1.2967 1.2681 C.ar 1 UNL11111111 -0.1454 9 C 3.8453 0.4975 0.4597 C.ar 1 UNL11111111 -0.0150 10 C 3.2777 -0.4027 -0.4326 C.ar 1 UNL11111111 -0.0151 11 C 1.8973 -0.5240 -0.5371 C.ar 1 UNL11111111 -0.1445 12 C 1.0871 0.2786 0.2705 C.ar 1 UNL11111111 -0.0145 13 CL 5.5343 0.6464 0.5876 Cl 1 UNL11111111 -0.0319 14 CL -4.8373 -0.1671 -0.1200 Cl 1 UNL11111111 0.0093 15 CL -3.1147 -2.6481 0.6348 Cl 1 UNL11111111 -0.0182 16 CL 4.2538 -1.3822 -1.4220 Cl 1 UNL11111111 -0.0295 17 CL -3.4184 2.5498 -0.6716 Cl 1 UNL11111111 -0.0193 18 H -0.6400 2.2439 -0.3674 H 1 UNL11111111 0.1883 19 H -0.3958 -1.9324 0.6907 H 1 UNL11111111 0.1894 20 H 1.0167 1.8025 1.8004 H 1 UNL11111111 0.1715 21 H 3.4880 2.0030 1.9722 H 1 UNL11111111 0.1787 22 H 1.4471 -1.2272 -1.2418 H 1 UNL11111111 0.1847 @BOND 1 16 10 1 2 22 11 1 3 17 1 1 4 11 10 ar 5 11 12 ar 6 10 9 ar 7 18 2 1 8 1 2 ar 9 1 6 ar 10 2 3 ar 11 14 6 1 12 6 5 ar 13 3 12 1 14 3 4 ar 15 12 7 ar 16 5 4 ar 17 5 15 1 18 4 19 1 19 9 13 1 20 9 8 ar 21 7 8 ar 22 7 20 1 23 8 21 1