REMARK  Name = BDB031313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.365  -0.453   0.352  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        2.474   0.581  -0.009  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        2.894   2.029   0.038  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1        2.203   2.781  -1.084  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        0.700   2.651  -0.936  0.00  0.00    +0.115 C 
ATOM      6  N   LIG    1        0.215   1.292  -0.701  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -1.189   1.165  -0.699  0.00  0.00    +0.311 C 
ATOM      8  N   LIG    1       -1.670   0.170   0.127  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1       -1.013  -0.139   0.831  0.00  0.00    +0.156 HD
ATOM     10  O   LIG    1       -1.905   1.957  -1.309  0.00  0.00    -0.252 OA
ATOM     11  C   LIG    1        1.163   0.253  -0.417  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        0.830  -1.102  -0.585  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.728  -2.119  -0.258  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        2.986  -1.796   0.233  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -3.004  -0.260   0.275  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -4.034   0.118  -0.595  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -5.287  -0.392  -0.341  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -5.542  -1.253   0.723  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1       -6.892  -1.581   0.696  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -7.391  -2.181   1.332  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -7.494  -0.924  -0.388  0.00  0.00    +0.325 A 
ATOM     22  O   LIG    1       -8.666  -0.983  -0.712  0.00  0.00    -0.247 OA
ATOM     23  C   LIG    1       -4.557  -1.651   1.591  0.00  0.00    +0.029 A 
ATOM     24  N   LIG    1       -6.482  -0.191  -1.024  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1       -6.628   0.387  -1.836  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -3.272  -1.145   1.354  0.00  0.00    +0.025 A 
ENDBRANCH   8  15
BRANCH   1  30
ATOM     27  C   LIG    1        7.120  -0.572   0.664  0.00  0.00    +0.128 C 
ATOM     28  N   LIG    1        5.751  -0.854   0.312  0.00  0.00    -0.314 N 
ATOM     29  H   LIG    1        5.572  -1.357  -0.547  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1        4.716  -0.155   0.897  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1        4.856   0.669   1.791  0.00  0.00    -0.270 OA
ENDBRANCH   1  30
TORSDOF 2