REMARK  Name = BDB058952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.422   0.461  -0.055  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -1.972   1.678   0.303  0.00  0.00    +0.189 A 
ATOM      3  O   LIG    1       -3.332   1.586   0.216  0.00  0.00    -0.352 OA
ATOM      4  N   LIG    1       -3.700   0.340  -0.241  0.00  0.00    -0.076 NA
ATOM      5  C   LIG    1       -2.558  -0.333  -0.424  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.594  -1.714  -0.900  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.171  -2.730  -0.103  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -3.218  -4.049  -0.600  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.695  -4.365  -1.852  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.119  -3.367  -2.631  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.069  -2.050  -2.164  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -1.335  -0.881  -3.211  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -3.752  -2.450   1.268  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.978  -1.869   1.225  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.958  -1.657   2.038  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.920  -3.592   2.001  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.503   3.013   0.642  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -0.537   3.654  -0.147  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -0.113   4.949   0.161  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.656   5.619   1.256  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.623   4.997   2.043  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.046   3.702   1.735  0.00  0.00    +0.012 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  C   LIG    1        0.952   0.589   0.598  0.00  0.00    +0.248 C 
ATOM     24  N   LIG    1       -0.095   0.039  -0.110  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1        0.066  -0.853  -0.560  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        0.868   1.427   1.485  0.00  0.00    -0.270 OA
BRANCH  23  30
ATOM     27  C   LIG    1        4.840  -1.038  -0.240  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        3.882  -0.972  -1.260  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        2.612  -0.443  -1.004  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        2.292   0.016   0.281  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        3.256  -0.034   1.296  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        4.525  -0.564   1.039  0.00  0.00    +0.016 A 
BRANCH  27  34
ATOM     33  O   LIG    1        6.510  -2.048  -1.647  0.00  0.00    -0.245 OA
ATOM     34  C   LIG    1        6.171  -1.609  -0.563  0.00  0.00    +0.337 C 
BRANCH  34  35
ATOM     35  O   LIG    1        7.010  -1.606   0.487  0.00  0.00    -0.477 OA
ATOM     36  H   LIG    1        7.836  -1.998   0.134  0.00  0.00    +0.295 HD
ENDBRANCH  34  35
ENDBRANCH  27  34
ENDBRANCH  23  30
ENDBRANCH   1  24
TORSDOF 7