REMARK  Name = BDB038369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.654  -0.818   0.601  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.318  -0.786   0.153  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.693  -0.132   0.872  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.332   0.507   2.068  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.984   0.476   2.537  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.969  -0.188   1.811  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.038  -0.102   0.412  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -2.558  -0.792  -0.689  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -2.045  -1.585  -1.456  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.972  -0.413  -0.801  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.905  -0.820  -1.736  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.198  -0.310  -1.621  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.525   0.584  -0.584  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.565   0.988   0.363  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.279   0.468   0.230  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -3.062   0.702   1.065  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.902   1.942   1.476  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -5.644   1.412   2.704  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -7.207   2.324   1.498  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.173   3.090   1.410  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        3.734  -0.844  -0.845  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        2.686  -1.514  -0.186  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1        2.630  -2.914  -0.291  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        3.600  -3.583  -1.020  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        4.616  -2.965  -1.653  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        4.644  -1.615  -1.569  0.00  0.00    +0.122 A 
BRANCH  21  29
ATOM     27  C   LIG    1        5.995   0.736   0.567  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1        4.911   1.287  -0.201  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1        3.890   0.606  -0.820  0.00  0.00    +0.166 A 
ATOM     30  N   LIG    1        3.090   1.493  -1.380  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1        3.592   2.751  -1.137  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1        4.684   2.610  -0.426  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4