REMARK  Name = BDB040869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.422  -0.547   0.444  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.421  -0.491  -0.637  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.064   0.050  -0.128  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.522  -0.659   1.031  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.531  -1.286   1.861  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.894  -0.559   1.820  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.476   0.088  -0.323  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.021   0.385   0.918  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.700   0.170   1.132  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.274   0.498   2.364  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.771  -0.323   0.189  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.319  -0.611  -1.071  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.674  -0.405  -1.339  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.008   1.182   0.460  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.630   0.781   0.531  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.073   0.997   1.355  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.935   0.324  -0.569  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.437   0.128  -1.670  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.522  -1.664   0.640  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.803  -1.053   0.102  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.314  -1.494  -1.148  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.503  -0.926  -1.624  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1       -5.239  -1.109  -2.775  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1       -6.268  -0.281  -2.676  0.00  0.00    +0.201 A 
ATOM     25  N   LIG    1       -6.231   0.406  -1.504  0.00  0.00    -0.317 N 
ATOM     26  C   LIG    1       -7.112   1.416  -0.939  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -6.597   1.967   0.427  0.00  0.00    +0.240 C 
ATOM     28  N   LIG    1       -5.435   1.465   0.987  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.148   1.856   1.875  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.667   0.481   0.372  0.00  0.00    +0.060 A 
ATOM     31  O   LIG    1       -7.214   2.852   1.028  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -8.532   0.886  -0.764  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -5.115   0.020  -0.840  0.00  0.00    +0.091 A 
ATOM     34  C   LIG    1       -3.489  -0.071   0.856  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4