REMARK  Name = BDB008446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.395  -0.247  -0.288  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        0.987  -1.459   0.024  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.354  -1.215   0.206  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        3.213  -2.262   0.543  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.653  -2.045   0.759  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.293  -0.830   0.649  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.287  -0.928   0.840  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.957   0.447   0.325  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1        3.784   0.911   0.039  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        3.672   2.392  -0.332  0.00  0.00    +0.058 C 
ATOM     11  C   LIG    1        2.307   2.985   0.044  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        1.138   2.190  -0.561  0.00  0.00    +0.054 C 
ATOM     13  O   LIG    1        5.343  -3.024   1.066  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        2.671  -3.553   0.686  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        1.310  -3.788   0.499  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.568   0.150  -0.011  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.444  -2.746   0.166  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        1.351   0.737  -0.294  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -1.022  -0.055  -0.577  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.833   0.211   0.701  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.269   0.521   0.526  0.00  0.00    -0.301 NA
BRANCH  21  23
ATOM     22  C   LIG    1       -4.841   2.412   0.088  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.456   1.818  -0.148  0.00  0.00    +0.081 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.040  -0.554  -0.119  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -3.997  -1.878   0.638  0.00  0.00    +0.020 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5