REMARK  Name = BDB017975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.471  -2.464  -1.856  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.504  -2.712  -1.141  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1        0.928  -1.729  -0.135  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1        1.098  -0.268  -0.607  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -0.152   0.441  -0.034  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.467   1.756  -0.712  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.406   2.786   0.229  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.635   4.105  -0.097  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.940   4.384  -1.430  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.013   3.361  -2.393  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1       -1.236   6.012  -1.907  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1       -0.106   2.276   1.483  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -0.026   2.808   2.337  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.776   2.030  -2.035  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -1.190  -0.595  -0.217  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1        0.040   0.891   1.453  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1        0.256   0.195   2.432  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -0.587  -1.885   0.139  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -1.232  -3.059  -0.600  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.309  -4.260  -0.517  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        0.933  -3.954  -1.176  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        1.344  -4.605  -1.836  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  23
ATOM     23  C   LIG    1        2.437   0.423  -0.382  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        3.236   0.244   0.755  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.837  -0.579   1.734  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.449   0.923   0.904  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        5.413   0.697   2.315  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        4.891   1.799  -0.084  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.116   1.993  -1.224  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.904   1.313  -1.370  0.00  0.00    +0.007 A 
ENDBRANCH   4  23
BRANCH  15  31
ATOM     31  C   LIG    1       -2.560  -0.342   0.207  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.852  -0.388   1.675  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -3.185  -1.673   2.392  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -4.264  -0.660   2.139  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 3