REMARK  Name = BDB012650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.408  -0.434  -0.201  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1       -0.315   0.310   0.183  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        0.797  -0.464  -0.075  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.422  -1.671  -0.610  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.891  -1.623  -0.672  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.179  -0.071   0.178  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        2.370   1.168   0.716  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1        3.637   1.597   0.977  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        4.724   0.772   0.696  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.488  -0.482   0.150  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.742  -1.002   0.008  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1        6.027  -1.903  -0.356  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1        6.688  -0.145   0.430  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1        6.072   0.952   0.857  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1        3.211  -0.957  -0.132  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16 CL   LIG    1       -6.358  -1.627  -1.018  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -5.133  -0.543  -0.481  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1       -3.790  -0.928  -0.560  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -2.781  -0.054  -0.126  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.146   1.202   0.383  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.493   1.568   0.454  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -4.923   3.112   1.081  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.492   0.701   0.024  0.00  0.00    +0.040 A 
ENDBRANCH   1  19
TORSDOF 2