@MOLECULE 4-bromotoluene 15 15 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -2.0049 -0.0011 0.0000 Br 1 UNL11111111 -0.0645 2 C -0.1059 0.0010 0.0000 C.ar 1 UNL11111111 -0.0399 3 C 0.5687 -1.2146 0.0000 C.ar 1 UNL11111111 -0.1365 4 C 1.9616 -1.2053 -0.0000 C.ar 1 UNL11111111 -0.1792 5 C 2.6619 0.0056 -0.0000 C.ar 1 UNL11111111 0.0524 6 C 1.9599 1.2133 -0.0000 C.ar 1 UNL11111111 -0.1766 7 C 0.5659 1.2167 0.0000 C.ar 1 UNL11111111 -0.1369 8 H 0.0309 -2.1632 0.0000 H 1 UNL11111111 0.1675 9 H 2.5071 -2.1466 -0.0000 H 1 UNL11111111 0.1591 10 C 4.1521 -0.0062 0.0000 C.3 1 UNL11111111 -0.4556 11 H 2.4998 2.1584 -0.0000 H 1 UNL11111111 0.1589 12 H 0.0270 2.1642 0.0000 H 1 UNL11111111 0.1675 13 H 4.5876 1.0022 -0.0003 H 1 UNL11111111 0.1572 14 H 4.5483 -0.5259 0.8858 H 1 UNL11111111 0.1633 15 H 4.5484 -0.5265 -0.8853 H 1 UNL11111111 0.1633 @BOND 1 12 7 1 2 11 6 1 3 7 6 ar 4 7 2 ar 5 6 5 ar 6 13 10 1 7 5 10 1 8 5 4 ar 9 1 2 1 10 2 3 ar 11 10 14 1 12 10 15 1 13 4 3 ar 14 4 9 1 15 3 8 1