REMARK  Name = BDB042571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.329  -0.630   0.273  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        3.887  -0.708   1.677  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        2.671  -1.641   1.799  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.546  -1.231   0.951  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.274  -1.666   1.292  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.082  -2.433   2.235  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.860  -0.310  -0.151  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.268  -0.515  -0.749  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        5.601   1.502   0.019  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1        5.501   0.099   0.066  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        6.689  -0.635  -0.092  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.916   0.002  -0.298  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.968   1.388  -0.344  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1        9.144   1.998  -0.541  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.822   2.151  -0.186  0.00  0.00    +0.082 A 
BRANCH   9  17
ATOM     16  C   LIG    1        3.566   3.028   0.330  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1        4.482   2.309   0.191  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1       -0.875  -1.154   0.443  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.230  -1.596   1.001  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.374  -1.050   0.184  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.597  -1.625  -1.042  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.017  -2.393  -1.361  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.595  -1.260  -1.920  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -4.710  -1.831  -2.997  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.488  -0.160  -1.480  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -5.277   0.435  -0.218  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -6.128   1.482   0.204  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.167   1.907  -0.643  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -7.362   1.310  -1.887  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.965   2.163   1.538  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -6.525   0.281  -2.300  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -6.751  -0.262  -3.505  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.170  -0.059   0.616  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5