REMARK  Name = BDB031387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.046  -2.111   0.172  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.547  -2.549   1.498  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.580  -1.494   2.092  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.558  -1.181   1.192  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.035  -0.759  -0.130  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.933  -1.798  -0.746  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.697  -0.070   0.120  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.609  -1.201   0.847  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -4.414  -1.834   0.828  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.379  -2.999   1.498  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -3.253  -1.405   0.142  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -3.425  -0.235  -0.611  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.646   0.444  -0.624  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -8.809   1.623  -1.203  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.485   1.063  -1.091  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.078   0.652  -1.922  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.016   0.636   0.143  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.625   0.808   1.192  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.407  -0.140   1.796  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.731   0.024   1.088  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.119   1.270   0.582  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        2.302   2.327   0.708  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.344   1.432  -0.062  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1        4.721   2.690  -0.571  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1        4.095   3.481  -0.462  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        5.912   2.930  -1.219  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1        6.770   1.790  -1.348  0.00  0.00    +0.135 A 
ATOM     28  N   LIG    1        6.412   0.561  -0.856  0.00  0.00    -0.223 N 
ATOM     29  N   LIG    1        7.343  -0.391  -1.071  0.00  0.00    -0.135 NA
ATOM     30  C   LIG    1        8.306   0.270  -1.714  0.00  0.00    +0.234 A 
ATOM     31  F   LIG    1        9.440  -0.311  -2.124  0.00  0.00    -0.182 F 
ATOM     32  C   LIG    1        8.014   1.626  -1.919  0.00  0.00    +0.094 A 
ATOM     33  O   LIG    1        6.185   4.048  -1.643  0.00  0.00    -0.266 OA
ATOM     34  C   LIG    1        5.195   0.332  -0.197  0.00  0.00    +0.092 A 
ATOM     35  C   LIG    1        4.840  -0.922   0.301  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1        3.608  -1.069   0.944  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4