REMARK  Name = BDB035918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.361  -0.908   0.023  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.239  -0.810   0.970  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        0.505  -2.173   1.162  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        1.360  -3.126   2.009  0.00  0.00    +0.026 C 
ATOM      5  N   LIG    1        0.160  -2.880  -0.086  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.694  -2.234  -1.289  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        2.172  -1.811  -1.128  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.486   1.853   0.075  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        4.370   2.138   0.795  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        3.379   1.210   0.747  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.403   0.007   0.026  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.587  -0.221  -0.690  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.638   0.700  -0.675  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        7.196   5.092   1.005  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.325   3.952   0.932  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        5.390   3.989   1.331  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.587   2.870   0.118  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.616   2.731  -0.533  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.218  -3.358  -0.190  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.282  -2.312  -0.407  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -2.958  -1.705   0.652  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.942  -0.736   0.404  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -4.666  -0.099   1.545  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1       -5.689   0.940   1.162  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -5.986   1.210  -0.273  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.257   0.609  -1.242  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -5.408   0.905  -2.717  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1       -6.267   1.567   2.050  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -4.224  -0.398  -0.912  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -3.595  -0.987  -1.952  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -2.652  -1.918  -1.685  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.122   2.169  -0.431  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -7.575   2.262  -1.711  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.215   1.810   0.294  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -6.782   3.431  -0.065  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5