REMARK  Name = BDB045591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.495  -0.051  -0.130  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.103  -0.255  -0.196  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.619  -1.427  -0.769  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.255  -1.315  -0.678  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.406  -2.013  -0.984  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.060  -0.117  -0.078  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.442  -2.429  -1.287  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.822  -2.214  -1.215  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.048   0.534   0.229  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.343  -1.048  -0.647  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.427   0.341   0.196  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        2.550  -0.216  -0.436  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        3.851   0.240  -0.146  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        4.018   1.282   0.776  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.912   1.849   1.405  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.629   1.381   1.114  0.00  0.00    +0.011 A 
BRANCH  13  17
ATOM     17  C   LIG    1        5.044  -0.356  -0.852  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        6.179  -0.336  -0.101  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        4.852  -1.660  -1.201  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.343   0.299  -2.007  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -3.229   2.117   0.942  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -3.605   2.965   1.340  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -2.221   1.990   0.884  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -4.088   1.171   0.462  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -5.301   1.332   0.520  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 3