REMARK  Name = BDB052997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.342   1.078   0.019  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -2.231   2.568  -0.032  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.015   3.115  -0.432  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.848   4.506  -0.514  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.902   5.356  -0.187  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.117   4.819   0.227  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.113   2.230  -0.754  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        1.182   2.707  -1.131  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.112   0.870  -0.605  0.00  0.00    -0.220 N 
ATOM     10  C   LIG    1       -3.284   3.432   0.308  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -1.312   0.317  -0.253  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -3.563   0.492   0.352  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -4.356   1.112   0.443  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1       -5.524  -4.030   1.112  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -4.646  -2.865   0.851  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -3.337  -3.045   0.632  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1       -2.871  -1.797   0.447  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -1.883  -1.644   0.265  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1       -3.836  -0.828   0.521  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -5.006  -1.496   0.793  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        0.991  -0.052  -0.840  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.905  -0.126   0.380  0.00  0.00    +0.184 C 
ATOM     23  O   LIG    1        1.564   0.232   1.508  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.276  -0.694   0.199  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        4.211  -0.516   1.227  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.506  -1.030   1.108  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.890  -1.729  -0.044  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.946  -1.919  -1.065  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        3.649  -1.405  -0.948  0.00  0.00    +0.012 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.281  -2.306  -0.167  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.726  -2.350  -1.454  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.218  -1.600   0.526  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.354  -3.583   0.298  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 6