REMARK  Name = BDB040852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.393  -1.719   0.610  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.366  -0.811   1.177  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.073  -1.361   1.004  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.368  -1.747  -0.392  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.678  -2.645  -0.937  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.857  -2.950   0.015  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.999   0.067  -0.530  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.379   0.539   0.576  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.215  -0.071   0.905  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.634   0.397   2.024  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.596  -1.135   0.204  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.302  -1.570  -0.925  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.508  -0.973  -1.302  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.912   2.453  -0.197  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.651   1.774  -0.077  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.064   1.921   0.741  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.290   0.731  -0.904  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.950   0.350  -1.863  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.709  -2.327  -0.543  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.825  -1.338  -0.269  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.795  -1.628   0.724  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -4.832  -0.706   0.964  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.965  -0.624   1.823  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.619   0.569   1.559  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -5.907   1.216   0.591  0.00  0.00    -0.334 N 
ATOM     26  C   LIG    1       -6.152   2.509  -0.044  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1       -5.147   2.829  -1.184  0.00  0.00    +0.240 C 
ATOM     28  N   LIG    1       -4.108   1.962  -1.453  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -3.475   2.225  -2.197  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -3.928   0.762  -0.771  0.00  0.00    +0.058 A 
ATOM     31  O   LIG    1       -5.253   3.859  -1.857  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -6.123   3.644   0.977  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -4.845   0.450   0.211  0.00  0.00    +0.071 A 
ATOM     34  C   LIG    1       -2.905  -0.145  -1.015  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4