REMARK  Name = BDB037066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.524  -0.306   0.754  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.551  -0.567   1.681  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.668  -0.788   2.871  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.272  -0.494   0.980  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        0.538  -0.173  -0.337  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.467  -0.025  -1.274  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -1.790  -0.218  -0.843  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -2.922  -0.060  -1.821  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -4.209  -0.682  -1.293  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1       -4.413  -0.245   0.157  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -5.825  -0.583   0.711  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1       -6.263   0.800   0.426  0.00  0.00    -0.308 NA
ATOM     13  H   LIG    1       -6.743   0.898  -0.470  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -4.851   1.229   0.393  0.00  0.00    +0.130 C 
ATOM     15  O   LIG    1       -3.321  -0.721   0.989  0.00  0.00    -0.483 OA
ATOM     16  C   LIG    1       -2.047  -0.524   0.514  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -1.015  -0.677   1.442  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        1.986  -0.046  -0.475  0.00  0.00    +0.255 C 
ATOM     19  O   LIG    1        2.553   0.229  -1.514  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        6.694   0.744  -1.875  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        5.907   0.477  -0.970  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        5.702  -0.822  -0.583  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        6.158  -1.509  -1.168  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        4.674  -1.301   0.190  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        4.343  -2.485   0.124  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        3.945  -0.290   1.073  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1        4.590   1.094   1.081  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.088   1.541  -0.282  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1