@MOLECULE triclosan 24 25 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.6293 -2.7012 0.1932 Cl 1 UNL11111111 -0.0288 2 CL 5.2231 0.4563 -1.2197 Cl 1 UNL11111111 -0.0749 3 CL -4.9132 1.3269 -1.0016 Cl 1 UNL11111111 -0.0656 4 O 0.0711 -0.6384 1.2776 O.3 1 UNL11111111 -0.2504 5 O 1.6394 1.2862 2.2831 O.3 1 UNL11111111 -0.4257 6 C 1.2367 -0.3118 0.6122 C.ar 1 UNL11111111 0.0688 7 C -1.0542 -0.1278 0.6639 C.ar 1 UNL11111111 0.1591 8 C 2.1001 0.6369 1.1910 C.ar 1 UNL11111111 0.2550 9 C 1.6059 -1.0069 -0.5337 C.ar 1 UNL11111111 -0.1100 10 C -1.9859 -1.0415 0.1680 C.ar 1 UNL11111111 -0.0394 11 C -1.3082 1.2440 0.6371 C.ar 1 UNL11111111 -0.1692 12 C 3.3547 0.8799 0.6286 C.ar 1 UNL11111111 -0.3157 13 C 2.8540 -0.7662 -1.1102 C.ar 1 UNL11111111 -0.2167 14 C -3.1995 -0.6063 -0.3484 C.ar 1 UNL11111111 -0.1652 15 C -2.5169 1.6966 0.1150 C.ar 1 UNL11111111 -0.1447 16 C 3.6931 0.1658 -0.5147 C.ar 1 UNL11111111 0.0835 17 C -3.4328 0.7644 -0.3639 C.ar 1 UNL11111111 0.0083 18 H 0.9248 -1.7408 -0.9689 H 1 UNL11111111 0.1819 19 H -0.5661 1.9381 1.0358 H 1 UNL11111111 0.1876 20 H 4.0359 1.6025 1.0700 H 1 UNL11111111 0.1826 21 H 3.1545 -1.3072 -2.0072 H 1 UNL11111111 0.1815 22 H -3.9390 -1.3142 -0.7296 H 1 UNL11111111 0.1908 23 H -2.7369 2.7653 0.0885 H 1 UNL11111111 0.1794 24 H 2.3335 1.8720 2.6840 H 1 UNL11111111 0.3278 @BOND 1 3 17 1 2 23 15 1 3 15 17 ar 4 15 11 ar 5 17 14 ar 6 19 11 1 7 11 7 ar 8 14 22 1 9 14 10 ar 10 7 10 ar 11 7 4 1 12 10 1 1 13 24 5 1 14 5 8 1 15 8 12 ar 16 8 6 ar 17 20 12 1 18 4 6 1 19 12 16 ar 20 6 9 ar 21 16 2 1 22 16 13 ar 23 9 13 ar 24 9 18 1 25 13 21 1