REMARK  Name = BDB051108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.696   0.133  -0.167  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.544   0.030  -1.547  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.531   0.636  -2.183  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.461  -0.692  -2.306  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.555  -1.299  -1.685  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.751  -1.173  -0.301  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.804  -0.462   0.453  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        5.790  -0.518   0.597  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1        4.438  -0.377   0.467  0.00  0.00    -0.266 N 
ATOM     10  C   LIG    1        3.415  -0.684   1.462  0.00  0.00    +0.122 C 
ATOM     11  C   LIG    1        2.521   0.206   0.653  0.00  0.00    +0.034 C 
ATOM     12  C   LIG    1        1.656   1.214   1.344  0.00  0.00    +0.119 C 
ATOM     13  N   LIG    1        0.593   0.779   0.428  0.00  0.00    -0.296 N 
ATOM     14  C   LIG    1       -0.756   0.904   0.673  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1       -1.211   1.603   1.577  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.337  -0.394  -0.049  0.00  0.00    +0.119 C 
ATOM     17  C   LIG    1        3.676   0.688  -0.179  0.00  0.00    +0.122 C 
ATOM     18  O   LIG    1        6.317  -1.221   1.449  0.00  0.00    -0.226 OA
BRANCH   8  19
ATOM     19  O   LIG    1        6.446   0.215  -0.337  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        8.505   0.800   0.881  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        7.894   0.218  -0.399  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        8.231   1.153  -1.571  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        8.443  -1.178  -0.714  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH   8  19
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1       -4.940  -1.816   0.377  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.271  -1.459  -0.272  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -6.897  -0.136  -0.013  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -8.107   0.129  -0.652  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -8.761   1.353  -0.466  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -8.199   2.319   0.367  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.989   2.060   1.011  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.696  -0.894  -1.531  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -9.758  -0.705  -2.112  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -7.987  -2.064  -1.656  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -8.381  -2.782  -2.255  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -6.338   0.836   0.825  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -6.804  -2.354  -1.052  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5