REMARK  Name = BDB031223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.559  -0.535  -0.333  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.089   0.678  -0.854  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.734   1.003  -0.703  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.078   2.128  -1.112  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.178   1.968  -0.756  0.00  0.00    +0.164 A 
ATOM      6  N   LIG    1       -0.364   0.773  -0.062  0.00  0.00    -0.291 N 
ATOM      7  C   LIG    1        0.871   0.124  -0.051  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.337  -1.071   0.523  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.693  -1.388   0.362  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.565   0.304   0.545  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.913  -1.053   0.442  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.090  -1.434   1.043  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.906  -0.536   1.728  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.006  -1.236   2.208  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.777  -0.875   2.747  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -4.889  -2.580   1.823  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -5.671  -3.480   2.069  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.590   0.794   1.851  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -3.693  -2.686   1.097  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.360  -3.550   0.702  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.398   1.217   1.247  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.176   2.908  -1.157  0.00  0.00    +0.102 A 
ATOM     23  N   LIG    1       -2.428   2.595  -1.628  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -2.811   1.669  -1.752  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1       -3.073   3.766  -1.911  0.00  0.00    +0.196 A 
ATOM     26  N   LIG    1       -2.307   4.805  -1.677  0.00  0.00    -0.244 NA
ATOM     27  C   LIG    1       -1.114   4.283  -1.242  0.00  0.00    +0.141 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        6.675  -2.609  -0.856  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        5.322  -2.199  -0.571  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        4.584  -2.865  -0.752  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.002  -0.858  -0.501  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.827   0.042  -0.601  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3