REMARK  Name = BDB062548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.414  -2.371  -0.017  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.611  -1.128  -0.026  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.971  -0.573   0.033  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1       -1.863   0.821   0.007  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -3.074   1.562   0.056  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.251   0.906   0.124  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.320  -0.550   0.149  0.00  0.00    +0.020 A 
ATOM      8  N   LIG    1       -0.580   1.185  -0.062  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1       -3.180  -1.259   0.103  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.181  -0.024  -0.082  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.636  -0.016  -0.154  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        2.302   1.221  -0.206  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.698   1.290  -0.276  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        4.445   0.117  -0.295  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        6.161   0.195  -0.382  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.808  -1.119  -0.245  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        2.410  -1.185  -0.175  0.00  0.00    +0.013 A 
ENDBRANCH  10  11
TORSDOF 1