REMARK  Name = BDB005300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.247   0.590  -0.918  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.235  -0.337  -0.620  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -0.072   0.373  -0.634  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.391   0.197  -0.459  0.00  0.00    +0.162 C 
ATOM      5  N   LIG    1        1.846   1.570  -0.853  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1        0.778   2.458  -1.143  0.00  0.00    +0.273 C 
ATOM      7  O   LIG    1        0.775   3.632  -1.470  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.403   1.640  -1.002  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.734   1.788  -1.183  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.791  -0.164   0.972  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        2.485  -1.355   1.306  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        2.845  -2.430   0.313  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        2.806  -1.609   2.656  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.474  -0.701   3.659  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        2.886  -1.042   5.293  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.808   0.472   3.344  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.469   0.736   2.016  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   5  18
ATOM     18  C   LIG    1        3.203   1.960  -0.959  0.00  0.00    +0.130 A 
ATOM     19  N   LIG    1        3.477   3.259  -1.194  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1        4.758   3.671  -1.294  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        5.836   2.826  -1.173  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        5.556   1.492  -0.941  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1        6.848   0.364  -0.787  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.240   1.046  -0.834  0.00  0.00    +0.064 A 
ENDBRANCH   5  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.428  -0.144   0.102  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -3.680   0.295  -1.000  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -4.340   0.490  -2.221  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.701   0.204  -2.351  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.420  -0.278  -1.258  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.784  -0.455  -0.031  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.875   0.883   2.077  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.850  -0.338   1.331  0.00  0.00    -0.494 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.427  -1.776  -0.474  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -1.143  -2.277   0.939  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -0.655  -2.570  -1.529  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5