REMARK  Name = BDB031230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.718   0.453  -1.182  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.213   0.862   0.065  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.425   0.334   0.438  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        4.141  -0.546  -0.375  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        5.313  -0.884   0.289  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        6.049  -1.490  -0.035  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        5.345  -0.214   1.520  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1        6.225  -0.272   2.359  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        3.687  -0.943  -1.611  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        4.163   0.537   1.599  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1        3.932   1.130   2.380  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        2.453  -0.423  -2.020  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1       -4.836  -1.139   1.622  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.529   0.206   1.014  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1       -3.289   0.360   0.416  0.00  0.00    -0.299 N 
ATOM     16  C   LIG    1       -2.240  -0.664   0.396  0.00  0.00    +0.126 C 
ATOM     17  C   LIG    1       -0.830  -0.073   0.248  0.00  0.00    +0.127 C 
ATOM     18  N   LIG    1       -0.709   0.839  -0.898  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1        0.430   0.982  -1.683  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1        0.429   1.531  -2.781  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -1.944   1.473  -1.367  0.00  0.00    +0.127 C 
ATOM     22  C   LIG    1       -2.988   1.629  -0.256  0.00  0.00    +0.126 C 
ATOM     23  O   LIG    1       -5.356   1.116   1.066  0.00  0.00    -0.276 OA
ENDBRANCH   1  19
TORSDOF 1