REMARK  Name = BDB034533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.564   0.424   1.042  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.421  -0.633  -1.112  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -0.180  -0.131  -0.163  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.568  -0.043  -0.136  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -2.317   0.830   0.777  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.750   0.335   1.046  0.00  0.00    +0.127 C 
ATOM      7  N   LIG    1       -4.446   0.029  -0.211  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1       -3.723  -0.901  -1.095  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -2.293  -0.405  -1.361  0.00  0.00    +0.126 C 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.795  -0.294  -0.042  0.00  0.00    +0.218 A 
ATOM     11  N   LIG    1       -6.442   0.153   1.048  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -7.752  -0.141   1.177  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -8.459  -0.875   0.260  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -7.731  -1.284  -0.826  0.00  0.00    +0.128 A 
ATOM     15  N   LIG    1       -6.420  -1.012  -0.991  0.00  0.00    -0.222 NA
BRANCH  13  16
ATOM     16  C   LIG    1       -9.905  -1.163   0.409  0.00  0.00    +0.420 C 
ATOM     17  F   LIG    1      -10.282  -2.328  -0.185  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1      -10.297  -1.266   1.709  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1      -10.688  -0.194  -0.139  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   7  10
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  C   LIG    1        2.080   0.206   1.013  0.00  0.00    +0.031 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.837   0.867  -0.151  0.00  0.00    +0.075 C 
ATOM     22  N   LIG    1        4.289   0.965   0.133  0.00  0.00    -0.311 N 
ATOM     23  C   LIG    1        4.791   2.284  -0.259  0.00  0.00    +0.107 C 
ATOM     24  C   LIG    1        3.652   2.921  -1.042  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        2.425   2.328  -0.381  0.00  0.00    +0.024 C 
BRANCH  22  26
ATOM     26  C   LIG    1        5.107  -0.152   0.238  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        4.618  -1.341   0.004  0.00  0.00    -0.156 NA
ATOM     28  N   LIG    1        5.439  -2.420   0.106  0.00  0.00    -0.241 N 
ATOM     29  H   LIG    1        5.022  -3.321  -0.103  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        6.768  -2.394   0.434  0.00  0.00    +0.277 A 
ATOM     31  O   LIG    1        7.445  -3.414   0.486  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1        7.322  -1.068   0.725  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        6.534   0.010   0.635  0.00  0.00    +0.063 A 
BRANCH  32  34
ATOM     34  C   LIG    1        8.745  -1.052   1.116  0.00  0.00    +0.423 C 
ATOM     35  F   LIG    1        8.994  -1.759   2.246  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        9.568  -1.520   0.144  0.00  0.00    -0.166 F 
ATOM     37  F   LIG    1        9.171   0.219   1.376  0.00  0.00    -0.166 F 
ENDBRANCH  32  34
ENDBRANCH  22  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7