REMARK  Name = BDB034309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.208  -0.491  -1.989  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1       -0.731  -0.014  -1.227  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.726   2.418   0.406  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -5.374   1.358  -0.247  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.686   0.407  -0.988  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -3.276   0.484  -1.084  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -2.602  -0.527  -1.833  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.385  -1.468  -2.503  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -4.757  -1.445  -2.344  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -2.625   1.560  -0.427  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -5.411  -0.544  -1.589  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -3.338   2.508   0.310  0.00  0.00    +0.013 A 
BRANCH   3  14
ATOM     13  F   LIG    1       -6.732   3.700   0.666  0.00  0.00    -0.166 F 
ATOM     14  C   LIG    1       -5.519   3.411   1.214  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -4.886   4.608   1.365  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.775   2.964   2.474  0.00  0.00    -0.166 F 
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.428  -1.649  -2.418  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.405  -2.783  -1.387  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.016  -2.365   0.035  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.280  -1.692   0.066  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1        2.011  -2.324  -0.259  0.00  0.00    +0.122 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.610  -1.244   1.419  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.938  -0.547   1.414  0.00  0.00    +0.005 A 
ATOM     24  S   LIG    1        3.031   1.137   1.143  0.00  0.00    -0.092 S 
ATOM     25  C   LIG    1        4.747   1.151   1.282  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.247  -0.127   1.538  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.647  -0.282   1.680  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        7.497   0.823   1.566  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.976   2.084   1.312  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.599   2.267   1.167  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        4.189  -1.094   1.611  0.00  0.00    +0.021 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8