REMARK  Name = BDB031306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.652  -0.349   0.015  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -0.568   0.521  -0.077  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.076   1.810   0.083  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.440   1.631   0.294  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.270   2.743   0.509  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -2.703   4.020   0.529  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.332   4.187   0.353  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.490   3.088   0.138  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -2.776   0.310   0.270  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        0.807   0.197  -0.260  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        1.378  -0.864   0.461  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.717  -1.103   0.252  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        3.485  -0.339  -0.624  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1        4.783  -0.837  -0.602  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.574  -0.511  -1.131  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        4.834  -1.921   0.287  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1        5.811  -2.599   0.550  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1        2.957   0.704  -1.343  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        3.543  -2.069   0.814  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        3.283  -2.788   1.469  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        1.595   0.973  -1.153  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   1  25
ATOM     22  C   LIG    1       -3.196  -3.742  -0.090  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -2.929  -2.334   0.009  0.00  0.00    -0.312 N 
ATOM     24  H   LIG    1       -3.642  -1.692   0.344  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -1.683  -1.788  -0.220  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1       -0.734  -2.474  -0.588  0.00  0.00    -0.267 OA
ENDBRANCH   1  25
TORSDOF 2