REMARK  Name = BDB031080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.901   0.330  -2.120  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.553   0.271  -0.674  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.241   0.329  -0.349  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1       -0.265   0.458  -1.335  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.566   0.502  -2.690  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.516   0.578  -3.432  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        1.556   0.579  -2.541  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        1.112   0.557  -1.232  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -1.936   0.442  -3.061  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.875   0.580   0.001  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        2.817  -0.386   0.084  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        3.575  -0.430   1.194  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.421   0.477   2.235  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        2.459   1.477   2.127  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        1.670   1.536   0.986  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        4.518  -1.451   1.237  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        4.399  -1.982   0.370  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        5.923  -1.023   1.377  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        6.431  -0.184   0.201  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1        7.464   0.595   0.645  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1        6.988  -1.195  -0.804  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1        6.920  -2.521  -0.169  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1        7.750  -3.070  -0.387  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        6.840  -2.251   1.275  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   2  25
ATOM     25  C   LIG    1       -3.544   0.155   0.356  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -4.702   0.892   0.478  0.00  0.00    +0.117 A 
ATOM     27  N   LIG    1       -5.316   0.432   1.603  0.00  0.00    -0.268 N 
ATOM     28  N   LIG    1       -4.627  -0.514   2.257  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -3.552  -0.698   1.484  0.00  0.00    +0.143 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.599   0.962   2.110  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -7.871   0.913   1.296  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -7.734   0.050   2.514  0.00  0.00    +0.029 C 
ENDBRANCH  27  30
ENDBRANCH   2  25
BRANCH   1  34
ATOM     33  C   LIG    1       -4.686   0.218  -3.730  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -4.254   0.232  -2.375  0.00  0.00    -0.494 OA
ENDBRANCH   1  34
TORSDOF 6