REMARK  Name = BDB041351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.462  -0.525  -0.627  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.063  -1.917  -0.354  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.880  -2.340  -1.258  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.331  -1.493  -1.175  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.009  -0.124  -0.721  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.412   0.363  -1.156  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.297   0.848   0.296  0.00  0.00    +0.109 A 
ATOM      8  N   LIG    1        5.878  -0.290   0.885  0.00  0.00    -0.215 NA
ATOM      9  C   LIG    1        4.628  -0.706   0.567  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.233  -1.826   1.197  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.733  -0.063  -0.317  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.238   1.112  -0.893  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.520   1.576  -0.591  0.00  0.00    +0.033 A 
BRANCH   7  14
ATOM     14  C   LIG    1        7.671   1.317   0.636  0.00  0.00    +0.181 C 
ATOM     15  O   LIG    1        8.109   2.348   0.129  0.00  0.00    -0.290 OA
BRANCH  14  17
ATOM     16  C   LIG    1        9.848   1.049   1.883  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1        8.468   0.472   1.615  0.00  0.00    +0.078 C 
ENDBRANCH  14  17
ENDBRANCH   7  14
ENDBRANCH   1  11
BRANCH   4  18
ATOM     18  C   LIG    1       -1.353  -2.104  -0.306  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.689  -1.403  -0.373  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.298  -0.910   0.781  0.00  0.00    +0.132 A 
ATOM     21  F   LIG    1       -2.675  -1.048   1.962  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.545  -0.267   0.749  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.125   0.237   2.043  0.00  0.00    +0.118 C 
ATOM     24  C   LIG    1       -6.464   0.927   1.952  0.00  0.00    +0.170 C 
ATOM     25  C   LIG    1       -7.126   1.062   0.640  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -6.525   0.564  -0.511  0.00  0.00    +0.082 A 
ATOM     27  N   LIG    1       -7.117   0.678  -1.732  0.00  0.00    -0.254 NA
ATOM     28  C   LIG    1       -8.319   1.293  -1.800  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -8.979   1.812  -0.702  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.370   1.694   0.542  0.00  0.00    +0.015 A 
ATOM     31  O   LIG    1       -7.016   1.380   2.955  0.00  0.00    -0.292 OA
ATOM     32  C   LIG    1       -5.219  -0.109  -0.472  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -4.605  -0.613  -1.635  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.362  -1.252  -1.589  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5