REMARK REMARK TITLE Toluene REMARK CHARGE-VALUE 0 REMARK MULTIPLICITY-VALUE 1 REMARK REMARK REORIENT 1 5 6 | 6 5 1 | 2 3 4 | 4 3 2 REMARK ATOM 1 CT1 TOL 1 2.416 0.000 0.009 C1 ATOM 2 H1 TOL 1 2.817 0.877 -0.487 H11 ATOM 3 H1 TOL 1 2.817 -0.877 -0.487 H12 ATOM 4 H1 TOL 1 2.792 -0.000 1.028 H13 ATOM 5 C2 TOL 1 0.905 0.000 -0.011 C2 ATOM 6 C3 TOL 1 0.192 -1.193 -0.008 C3 ATOM 7 H3 TOL 1 0.723 -2.129 -0.015 H3 ATOM 8 C4 TOL 1 -1.194 -1.196 0.002 C4 ATOM 9 H4 TOL 1 -1.726 -2.131 0.002 H4 ATOM 10 C5 TOL 1 -1.893 0.000 0.007 C5 ATOM 11 H5 TOL 1 -2.968 0.000 0.012 H5 ATOM 12 C4 TOL 1 -1.194 1.196 0.002 C6 ATOM 13 H4 TOL 1 -1.726 2.131 0.002 H6 ATOM 14 C3 TOL 1 0.192 1.193 -0.008 C7 ATOM 15 H3 TOL 1 0.723 2.129 -0.015 H7 CONECT 1 2 3 4 5 CONECT 2 1 CONECT 3 1 CONECT 4 1 CONECT 5 1 6 14 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 10 CONECT 9 8 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 10 13 14 CONECT 13 12 CONECT 14 5 12 15 CONECT 15 14 END