REMARK  Name = BDB042783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.938  -2.575  -0.894  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.954  -1.846  -0.882  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.677  -0.963   0.260  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.550  -0.149   0.215  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.241   0.732   1.257  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.082   1.521   1.248  0.00  0.00    -0.337 N 
ATOM      7  H   LIG    1        0.151   2.330   1.864  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.467   1.844  -0.089  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -0.600   0.589  -0.976  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1        2.058   0.712   2.392  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.186  -0.108   2.435  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        3.964  -0.093   3.525  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.671  -0.250  -0.959  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.917  -1.040  -1.964  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        3.513  -0.942   1.375  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        2.047  -1.802  -1.915  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        2.218  -2.408  -2.712  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.856  -0.208  -0.633  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1       -3.083   0.212  -1.167  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1       -3.121   1.300  -1.952  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.273  -0.452  -0.893  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -4.249  -1.562  -0.058  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -5.710  -2.396   0.298  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.048  -1.998   0.501  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.856  -1.322   0.219  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
BRANCH   8  26
ATOM     26  C   LIG    1        0.337   2.955  -0.789  0.00  0.00    +0.236 C 
ATOM     27  F   LIG    1        1.579   2.516  -1.123  0.00  0.00    -0.247 F 
ENDBRANCH   8  26
TORSDOF 2