REMARK  Name = BDB054491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.372   1.091  -0.448  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.068   0.941   0.039  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.481  -0.344   0.015  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.162  -1.448  -0.481  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.294  -2.575  -0.367  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.082  -2.153   0.203  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -0.974  -3.076   0.439  0.00  0.00    +0.168 A 
ATOM      8  N   LIG    1       -0.745  -4.389   0.082  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        0.418  -4.776  -0.465  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        1.468  -3.924  -0.712  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.474  -1.280  -0.968  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        0.227  -0.784   0.419  0.00  0.00    -0.338 N 
ATOM     13  C   LIG    1        4.062  -0.011  -0.945  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -2.321  -2.766   1.068  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1       -2.978  -1.743   0.446  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -2.217  -2.394   2.379  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1       -3.201  -3.810   1.059  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
BRANCH   1  19
ATOM     18  C   LIG    1        3.435   3.424   0.023  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.076   2.265  -0.492  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH  12  20
ATOM     20  C   LIG    1       -0.762   0.131   0.979  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.564   0.850  -0.106  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.625   1.763   0.509  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.448   2.461  -0.572  0.00  0.00    +0.078 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.441   3.334   0.040  0.00  0.00    -0.330 NA
ATOM     25  H   LIG    1       -4.982   3.796  -0.690  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1       -3.978   4.075   0.564  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 7