REMARK  Name = BDB013251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.260   0.251  -0.159  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -1.448   1.092   0.737  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        0.028   0.692   0.593  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        0.737   0.542   1.679  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        2.089   0.179   1.514  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        2.685   0.013   0.260  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        4.020  -0.328   0.128  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        4.569  -0.461  -1.227  0.00  0.00    +0.273 A 
ATOM      9  N   LIG    1        3.692  -0.221  -2.260  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1        4.053  -0.310  -3.205  0.00  0.00    +0.192 HD
ATOM     11  N   LIG    1        2.371   0.106  -2.142  0.00  0.00    -0.152 NA
ATOM     12  O   LIG    1        5.742  -0.762  -1.412  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        4.804  -0.525   1.266  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        4.229  -0.371   2.530  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.863   0.218  -0.946  0.00  0.00    +0.165 A 
ATOM     16  C   LIG    1        2.878  -0.020   2.649  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        0.535   0.534  -0.694  0.00  0.00    -0.310 N 
ATOM     18  C   LIG    1       -0.360   0.866  -1.801  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -1.791   0.331  -1.561  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -4.495  -0.595  -0.850  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -3.720   0.453  -0.031  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.216   0.367   1.421  0.00  0.00    +0.024 C 
ENDBRANCH   1  21
TORSDOF 1