REMARK  Name = BDB004511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.677  -0.870  -0.075  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        0.795   0.249  -0.670  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.222   0.536   0.457  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -1.455   1.306   0.024  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.563   2.477   0.779  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.578   3.395   0.608  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -3.516   3.124  -0.386  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.416   1.972  -1.181  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -4.808   4.229  -0.655  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -0.503   2.575   1.662  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.333   3.345   2.293  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -2.374   1.057  -0.983  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        0.367   1.506   1.531  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1        1.394   1.357   2.176  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.431  -0.879   1.096  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -1.028  -0.846   2.527  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.269  -2.242   3.109  0.00  0.00    +0.083 C 
ATOM     18  N   LIG    1       -2.122  -3.060   2.250  0.00  0.00    -0.316 NA
ATOM     19  H   LIG    1       -3.041  -2.624   2.168  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -1.528  -3.198   0.921  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1       -1.325  -1.834   0.256  0.00  0.00    +0.038 C 
ATOM     22  N   LIG    1        0.957  -1.439   1.121  0.00  0.00    -0.298 NA
ATOM     23  H   LIG    1        1.434  -1.045   1.943  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  24
ATOM     24  C   LIG    1        1.514   1.452  -1.263  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1        1.009   2.039  -2.437  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1       -0.088   1.518  -3.010  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        1.619   3.153  -3.016  0.00  0.00    +0.076 A 
ATOM     28 CL   LIG    1        0.975   3.862  -4.447  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        2.755   3.706  -2.432  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.272   3.142  -1.267  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        2.657   2.026  -0.688  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   1  35
ATOM     32  C   LIG    1        2.313  -4.419  -1.272  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        2.182  -3.217  -0.493  0.00  0.00    -0.317 N 
ATOM     34  H   LIG    1        1.819  -3.276   0.457  0.00  0.00    +0.148 HD
ATOM     35  C   LIG    1        1.957  -1.994  -1.094  0.00  0.00    +0.230 C 
ATOM     36  O   LIG    1        2.026  -1.809  -2.304  0.00  0.00    -0.274 OA
ENDBRANCH   1  35
TORSDOF 2