REMARK  Name = BDB031006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.927  -0.239   2.160  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.735   0.001   1.609  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.638   0.018   2.398  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.695  -0.234   3.749  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1        1.966  -0.445   4.236  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1        3.080  -0.446   3.477  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.593   0.297   1.669  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.021  -0.231   0.406  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.250   0.350   0.099  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -2.987   0.060  -1.070  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -2.410  -0.874  -1.953  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -1.172  -1.466  -1.673  0.00  0.00    +0.020 A 
ATOM     13  N   LIG    1       -2.543   1.225   1.125  0.00  0.00    -0.359 N 
ATOM     14  H   LIG    1       -3.383   1.801   1.146  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -0.471  -1.153  -0.504  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.538   1.227   2.055  0.00  0.00    +0.093 A 
BRANCH  10  17
ATOM     17  P   LIG    1       -4.524   0.898  -1.295  0.00  0.00    +0.114 P 
ATOM     18  O   LIG    1       -4.873   1.851  -0.170  0.00  0.00    -0.317 OA
ATOM     19  C   LIG    1       -4.527   1.813  -2.840  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -5.866  -0.280  -1.484  0.00  0.00    +0.086 C 
ENDBRANCH  10  17
BRANCH  11  21
ATOM     21  C   LIG    1       -3.065  -1.243  -3.172  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -3.615  -1.525  -4.153  0.00  0.00    -0.191 NA
ENDBRANCH  11  21
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  C   LIG    1       -0.476  -0.298   4.657  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1       -0.179  -0.899   5.849  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -0.957   0.930   4.997  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -1.529  -1.005   4.165  0.00  0.00    -0.166 F 
ENDBRANCH   4  23
BRANCH   1  27
ATOM     27  N   LIG    1        4.101  -0.291   1.417  0.00  0.00    -0.267 N 
ATOM     28  H   LIG    1        4.868  -0.428   2.058  0.00  0.00    +0.156 HD
BRANCH  27  34
ATOM     29  C   LIG    1        6.455  -0.110  -2.919  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1        5.478  -0.146  -1.810  0.00  0.00    +0.035 A 
ATOM     31  N   LIG    1        4.130  -0.076  -2.015  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1        3.632   0.009  -2.895  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        3.410  -0.136  -0.889  0.00  0.00    -0.158 NA
ATOM     34  C   LIG    1        4.312  -0.218   0.091  0.00  0.00    +0.147 A 
ATOM     35  C   LIG    1        5.626  -0.240  -0.445  0.00  0.00    +0.068 A 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 6