REMARK  Name = BDB035141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.821  -1.681   0.402  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.318  -2.348   1.043  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        1.476  -1.363   1.358  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        1.697  -0.325   0.338  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.118  -0.688  -0.955  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.396  -1.017  -0.851  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.055   0.230   0.264  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1        3.447   0.962   1.578  0.00  0.00    +0.166 C 
ATOM      9  N   LIG    1        4.851   1.425   1.601  0.00  0.00    -0.267 NA
ATOM     10  C   LIG    1        5.700   0.658   1.015  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1        5.398  -0.591   0.287  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        4.127  -0.767  -0.098  0.00  0.00    -0.003 C 
BRANCH  10  13
ATOM     13  N   LIG    1        6.996   1.091   1.099  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        7.057   1.953   1.627  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1        8.175   0.581   0.584  0.00  0.00    +0.224 C 
ATOM     16  O   LIG    1        8.318  -0.436  -0.078  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1        9.354   1.414   0.929  0.00  0.00    +0.112 C 
ATOM     18  C   LIG    1       10.437   1.632  -0.087  0.00  0.00    +0.179 C 
ATOM     19  F   LIG    1       11.737   1.697   0.380  0.00  0.00    -0.245 F 
ATOM     20  C   LIG    1        9.536   2.768   0.275  0.00  0.00    +0.053 C 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.947  -2.599   0.187  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.213   0.731  -1.648  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -5.819   1.274  -1.926  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -5.620   2.198  -2.710  0.00  0.00    -0.275 OA
ATOM     25  N   LIG    1       -4.780   0.734  -1.233  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1       -3.896   1.205  -1.373  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -4.972  -0.120  -0.092  0.00  0.00    +0.121 C 
ATOM     28  C   LIG    1       -6.015  -1.222  -0.360  0.00  0.00    +0.130 C 
ATOM     29  N   LIG    1       -5.477  -2.368  -1.135  0.00  0.00    -0.286 NA
ATOM     30  C   LIG    1       -4.237  -2.655  -0.948  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1       -3.263  -1.927  -0.094  0.00  0.00    -0.018 C 
ATOM     32  C   LIG    1       -3.635  -0.688   0.266  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -7.263  -0.709  -1.103  0.00  0.00    +0.041 C 
BRANCH  22  35
ATOM     34  C   LIG    1       -7.652   1.936   0.614  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -8.061   1.734  -0.840  0.00  0.00    +0.009 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6