REMARK  Name = BDB044002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.109   0.265   0.852  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.280   0.867   0.392  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        1.341   2.237  -0.075  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        2.308  -0.056   0.378  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.745  -1.268   0.715  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        2.481  -2.428   0.711  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1        2.049  -3.309   0.950  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.810  -2.449   0.343  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        4.471  -1.144   0.017  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        5.839  -1.143  -0.291  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.494   0.059  -0.540  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.788   1.258  -0.467  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.421   1.262  -0.162  0.00  0.00    +0.011 A 
ATOM     14  O   LIG    1        4.435  -3.506   0.299  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        3.735   0.064   0.058  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.398  -1.078   1.047  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1       -6.121  -0.120  -0.928  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -4.973  -0.641  -0.190  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1       -4.780   0.058   1.098  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.581   1.020   1.149  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1       -2.330   0.370   0.758  0.00  0.00    -0.294 N 
ATOM     22  C   LIG    1       -1.131   0.977   1.121  0.00  0.00    +0.263 C 
ATOM     23  O   LIG    1       -1.123   2.087   1.653  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -2.456  -0.724  -0.214  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -3.759  -0.620  -1.029  0.00  0.00    +0.103 C 
ENDBRANCH   1  22
TORSDOF 1