REMARK  Name = BDB060335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.153  -1.449   1.626  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.933  -0.688   1.133  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -0.699   0.453   0.284  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.919   0.984  -0.032  0.00  0.00    +0.117 A 
ATOM      5  N   LIG    1       -2.817   0.179   0.606  0.00  0.00    -0.270 N 
ATOM      6  C   LIG    1        0.524   0.950  -0.151  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        1.600   0.188   0.343  0.00  0.00    +0.038 A 
ATOM      8  N   LIG    1       -2.263  -0.826   1.311  0.00  0.00    -0.168 NA
ATOM      9  C   LIG    1        1.414  -0.961   1.195  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        2.941   0.502   0.034  0.00  0.00    -0.280 N 
ATOM     11  H   LIG    1        3.668  -0.092   0.426  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        3.425   1.533  -0.750  0.00  0.00    +0.267 C 
ATOM     13  O   LIG    1        2.777   2.388  -1.339  0.00  0.00    -0.268 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.925   1.536  -0.840  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        5.567   0.546  -0.153  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        6.931   0.522  -0.216  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1        7.651   1.469  -0.950  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        6.966   2.467  -1.640  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.578   2.505  -1.587  0.00  0.00    +0.033 A 
BRANCH  16  20
ATOM     20  C   LIG    1        7.698  -0.563   0.531  0.00  0.00    +0.434 C 
ATOM     21  F   LIG    1        6.901  -1.424   1.225  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        8.449  -1.338  -0.303  0.00  0.00    -0.164 F 
ATOM     23  F   LIG    1        8.573  -0.049   1.443  0.00  0.00    -0.164 F 
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   7  10
BRANCH   1  25
ATOM     24  C   LIG    1        1.055  -3.237   2.898  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -0.081  -2.527   2.428  0.00  0.00    -0.493 OA
ENDBRANCH   1  25
BRANCH   5  26
ATOM     26  C   LIG    1       -4.264   0.319   0.585  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.902  -0.588  -0.466  0.00  0.00    +0.057 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.431  -0.463  -0.588  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -7.148  -0.842   0.708  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.869   0.929  -1.049  0.00  0.00    +0.041 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -6.865  -1.400  -1.583  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -6.408  -1.197  -2.417  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 8