REMARK  Name = BDB049074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.533  -1.280  -0.399  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.154  -1.991  -1.626  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.611  -1.455  -1.651  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.678  -0.387  -0.642  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.302   0.049  -0.396  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        2.943  -2.564   1.506  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        2.156  -1.766   0.506  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        2.776  -0.912  -0.419  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        2.022  -0.218  -1.371  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.632  -0.331  -1.376  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -0.023  -1.136  -0.432  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        0.754  -1.853   0.496  0.00  0.00    +0.008 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.243  -0.728  -0.452  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1        4.851  -0.056   0.608  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1        4.141   0.879   1.488  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        4.401   2.337   1.046  0.00  0.00    +0.103 C 
ATOM     17  N   LIG    1        5.830   2.697   0.890  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        6.485   2.877   2.184  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        6.525   1.677   0.065  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        6.284   0.218   0.510  0.00  0.00    +0.123 C 
ATOM     21  O   LIG    1        4.853  -1.174  -1.420  0.00  0.00    -0.270 OA
ENDBRANCH   8  13
ENDBRANCH   1  11
BRANCH   2  22
ATOM     22  N   LIG    1       -1.946  -3.451  -1.726  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -2.447  -3.977  -2.996  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -2.498  -4.216  -0.609  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.608   0.683  -1.004  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.903   1.628   0.142  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.713   1.167   1.193  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -6.231  -0.071   1.148  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.019   1.965   2.290  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.518   3.259   2.358  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.718   3.747   1.323  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.403   2.948   0.208  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -3.552   3.538  -0.882  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 5