REMARK  Name = BDB042515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.926   0.725   0.106  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -3.805   0.024   1.397  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.545   0.497   2.140  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.315   0.323   1.357  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.107   0.292   2.036  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.041   0.475   3.252  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.485   0.108  -0.087  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.688   0.866  -0.687  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.376  -0.689  -1.354  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1       -5.107   0.464  -0.592  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -6.123   1.432  -0.512  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -7.344   1.261  -1.170  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -7.565   0.111  -1.916  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1       -8.736  -0.052  -2.545  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.593  -0.872  -2.016  0.00  0.00    +0.082 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -3.677  -2.592  -1.593  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1       -4.439  -1.709  -1.468  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        1.139   0.029   1.208  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.382  -0.112   2.090  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.628  -0.334   1.270  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.786  -1.572   0.690  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.088  -2.294   0.831  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.861  -1.958  -0.085  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        4.910  -3.084  -0.564  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.918  -0.940  -0.291  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1        5.763   0.321   0.307  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        6.752   1.297   0.127  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        7.885   1.017  -0.641  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        8.032  -0.236  -1.233  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        7.051  -1.210  -1.057  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1        7.235  -2.400  -1.645  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.571   0.607   1.111  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5