REMARK  Name = BDB054108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923   1.488  -0.529  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.366   1.183  -0.159  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.539   0.313   0.335  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.284   2.620  -0.852  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.376   2.222   0.055  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        2.783   1.581   0.032  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.962   0.758   1.239  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.941   1.579   2.465  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        2.323   2.973   2.292  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.101   2.956   1.382  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.173  -0.077   1.149  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.250  -1.132   2.266  0.00  0.00    +0.053 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.455  -2.025   2.112  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        6.720  -1.583   2.512  0.00  0.00    +0.127 A 
ATOM     15  F   LIG    1        6.862  -0.356   3.033  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.845  -2.391   2.378  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        7.717  -3.664   1.830  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        6.465  -4.119   1.415  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.338  -3.304   1.553  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -1.886   0.282  -0.559  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.602  -0.651  -1.759  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -1.714   0.071  -3.119  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -1.882  -0.922  -4.262  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.172  -1.730  -4.125  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.636  -1.900  -2.678  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -2.465  -1.932  -1.702  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -4.102   0.622   0.498  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -3.248   0.810  -0.569  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -3.371   1.656  -1.118  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -3.854  -0.138   1.433  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.400   1.452   0.417  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -5.130   2.845   0.977  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -7.029  -0.347   0.502  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -6.480   0.812   1.198  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -6.063   0.488   2.078  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 9