REMARK  Name = BDB021707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.986  -0.526   0.636  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.984   0.486   0.365  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.306   0.371   0.914  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.406  -0.068   1.857  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.688   1.504  -0.317  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.477   0.927   0.293  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        5.593   1.244   1.083  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.752   1.760   0.497  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1        6.814   1.949  -0.884  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1        7.941   2.447  -1.447  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        5.717   1.618  -1.685  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        4.554   1.104  -1.102  0.00  0.00    +0.026 A 
BRANCH   8  13
ATOM     13  S   LIG    1        8.204   2.264   0.896  0.00  0.00    +0.314 S 
ATOM     14  F   LIG    1        7.683   3.877   1.877  0.00  0.00    -0.093 F 
ATOM     15  F   LIG    1        5.135  -2.352  -0.143  0.00  0.00    -0.093 F 
ATOM     16  F   LIG    1        5.127  -2.352  -0.166  0.00  0.00    -0.093 F 
ATOM     17  F   LIG    1        5.141  -2.344  -0.142  0.00  0.00    -0.093 F 
ATOM     18  F   LIG    1        3.555   4.166   0.295  0.00  0.00    -0.093 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  22
ATOM     19  N   LIG    1       -3.045   0.639   0.445  0.00  0.00    -0.300 NA
ATOM     20  C   LIG    1       -2.488   0.234  -0.869  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1       -0.953   0.065  -0.839  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -0.464  -0.232   0.591  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -0.853   0.904   1.565  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -2.165   1.595   1.151  0.00  0.00    +0.086 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -4.472   1.049   0.350  0.00  0.00    +0.054 C 
ATOM     26  C   LIG    1       -4.652   2.527  -0.061  0.00  0.00    +0.024 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -5.191   0.724   1.682  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -7.404  -0.136   0.718  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -6.724   0.870   1.646  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH   1  22
BRANCH   1  30
ATOM     30  C   LIG    1        1.401  -1.923   0.845  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.161  -2.726  -0.405  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1        0.179  -3.730  -0.433  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -0.053  -4.454  -1.606  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.691  -4.182  -2.757  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        1.670  -3.184  -2.737  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        1.905  -2.458  -1.566  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 8