REMARK  Name = BDB031270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.267   0.184   0.282  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        2.060   0.095  -0.878  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        3.397  -0.209  -0.736  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        3.986  -0.414   0.505  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        5.332  -0.696   0.303  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        6.029  -0.888   1.003  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        5.594  -0.669  -1.074  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1        6.667  -0.871  -1.614  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        3.271  -0.321   1.668  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        4.380  -0.365  -1.708  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1        4.273  -0.281  -2.705  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        1.907  -0.015   1.542  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -3.887  -1.984  -0.582  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.303  -0.755  -1.228  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1       -2.908   0.251  -0.377  0.00  0.00    -0.293 N 
ATOM     16  C   LIG    1       -2.170   1.406  -0.870  0.00  0.00    +0.094 C 
ATOM     17  C   LIG    1       -0.678   0.999  -1.043  0.00  0.00    +0.127 C 
ATOM     18  N   LIG    1       -0.102   0.500   0.243  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1       -0.996  -0.411   1.020  0.00  0.00    +0.127 C 
ATOM     20  C   LIG    1       -2.340   2.409   0.279  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1       -2.556   1.533   1.528  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1       -2.473   0.092   1.006  0.00  0.00    +0.094 C 
ATOM     23  O   LIG    1       -3.202  -0.663  -2.450  0.00  0.00    -0.276 OA
ENDBRANCH   1  18
TORSDOF 1