REMARK  Name = BDB032161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.804   0.720  -0.688  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.640   1.481  -0.730  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.491   2.654  -0.450  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.568   0.601  -1.203  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.136  -0.624  -1.528  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.337  -1.639  -1.998  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        0.035  -1.422  -2.141  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.607  -0.169  -1.821  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -1.865  -2.826  -2.315  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.215   0.860  -1.334  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.606  -0.589  -1.313  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.625  -0.712   2.797  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.261  -0.011   1.857  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.759  -0.214   0.596  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.436  -0.960   0.510  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.263   0.282  -0.587  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -6.627  -0.200  -1.659  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -5.130   1.316  -0.484  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -5.263   2.049   0.856  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.207   1.058   2.009  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        2.093   0.043  -1.956  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.694  -0.328  -0.714  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.046  -0.200  -0.702  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        4.495  -0.574   0.533  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        3.752  -0.855   1.159  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        4.702   0.186  -1.657  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.816  -0.607   1.010  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        6.010  -1.033   2.331  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        7.297  -1.092   2.872  0.00  0.00    +0.078 A 
ATOM     30 CL   LIG    1        7.506  -1.620   4.497  0.00  0.00    -0.081 Cl
ATOM     31  C   LIG    1        8.393  -0.725   2.097  0.00  0.00    +0.142 A 
ATOM     32  F   LIG    1        9.636  -0.775   2.598  0.00  0.00    -0.204 F 
ATOM     33  C   LIG    1        8.214  -0.301   0.786  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        6.927  -0.241   0.242  0.00  0.00    +0.026 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5