@MOLECULE hexachlorophene 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -0.0925 -2.3380 0.2511 Cl 1 UNL11111111111111 -0.0176 2 CL 2.5213 -1.8098 -1.6556 Cl 1 UNL11111111111111 -0.0026 3 CL -4.7490 1.6337 -0.4313 Cl 1 UNL11111111111111 -0.0133 4 CL 1.9206 3.3809 1.6129 Cl 1 UNL11111111111111 -0.0309 5 CL -2.7037 -2.6951 1.8801 Cl 1 UNL11111111111111 -0.0237 6 CL 4.7308 -0.9309 0.3051 Cl 1 UNL11111111111111 -0.0157 7 O -2.2869 1.7406 -1.8554 O.3 1 UNL11111111111111 -0.4363 8 O -0.0705 2.2709 -0.3682 O.3 1 UNL11111111111111 -0.4791 9 C -0.0156 -0.0638 -1.7294 C.3 1 UNL11111111111111 -0.2393 10 C -1.2460 -0.2200 -0.8902 C.ar 1 UNL11111111111111 -0.1144 11 C 1.1435 0.3497 -0.8796 C.ar 1 UNL11111111111111 -0.0726 12 C -2.3108 0.6883 -1.0062 C.ar 1 UNL11111111111111 0.2627 13 C 1.0534 1.5516 -0.1485 C.ar 1 UNL11111111111111 0.2623 14 C -1.3849 -1.2592 0.0280 C.ar 1 UNL11111111111111 0.0141 15 C 2.3104 -0.3950 -0.7417 C.ar 1 UNL11111111111111 0.0187 16 C -3.4848 0.5172 -0.2616 C.ar 1 UNL11111111111111 -0.0834 17 C 2.0716 1.9428 0.7208 C.ar 1 UNL11111111111111 -0.1316 18 C -2.5498 -1.4187 0.7683 C.ar 1 UNL11111111111111 -0.0624 19 C 3.3241 0.0048 0.1278 C.ar 1 UNL11111111111111 -0.0625 20 C -3.6199 -0.5400 0.6254 C.ar 1 UNL11111111111111 -0.1226 21 C 3.2155 1.1697 0.8755 C.ar 1 UNL11111111111111 -0.1060 22 H 0.1746 -1.0132 -2.2867 H 1 UNL11111111111111 0.1907 23 H -0.1662 0.6798 -2.5490 H 1 UNL11111111111111 0.1716 24 H -4.5383 -0.6737 1.2056 H 1 UNL11111111111111 0.1938 25 H 4.0093 1.4739 1.5660 H 1 UNL11111111111111 0.1953 26 H -1.3598 2.0977 -1.9498 H 1 UNL11111111111111 0.3460 27 H -0.1529 3.0719 0.2160 H 1 UNL11111111111111 0.3585 @BOND 1 23 9 1 2 22 9 1 3 26 7 1 4 7 12 1 5 9 10 1 6 9 11 1 7 2 15 1 8 12 10 ar 9 12 16 ar 10 10 14 ar 11 11 15 ar 12 11 13 ar 13 15 19 ar 14 3 16 1 15 8 13 1 16 8 27 1 17 16 20 ar 18 13 17 ar 19 14 1 1 20 14 18 ar 21 19 6 1 22 19 21 ar 23 20 18 ar 24 20 24 1 25 17 21 ar 26 17 4 1 27 18 5 1 28 21 25 1