REMARK  Name = BDB061604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.476  -1.282   2.322  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.301   0.920  -0.121  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1       -2.890   1.419   1.122  0.00  0.00    +0.084 A 
ATOM      4 CL   LIG    1       -3.425   2.953   1.710  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -1.993   0.698   1.917  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.468  -0.523   1.475  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -1.825  -0.987   0.202  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.722  -0.266  -0.594  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1       -3.047  -0.872  -2.178  0.00  0.00    -0.080 Cl
BRANCH   2  10
ATOM     10  O   LIG    1       -4.158   1.652  -0.898  0.00  0.00    -0.472 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -5.971   1.409  -2.388  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.533   1.234  -0.920  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.348   2.241  -0.088  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.964  -0.189  -0.467  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.505  -1.048  -1.147  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.711  -0.447   0.836  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -6.042  -1.362   0.959  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1        0.877  -0.845   2.080  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        1.737  -1.358   1.100  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        1.482  -2.311   0.379  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        2.865  -0.554   1.149  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.584   0.366   2.101  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.429   0.256   2.681  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.040  -0.652   0.364  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.101   0.254   0.522  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.270   0.164  -0.252  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        6.408  -0.840  -1.205  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        5.363  -1.746  -1.372  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.197  -1.655  -0.600  0.00  0.00    +0.030 A 
BRANCH  27  30
ATOM     30  O   LIG    1        7.479  -1.048  -2.023  0.00  0.00    -0.406 OA
BRANCH  30  31
ATOM     31  C   LIG    1        8.582  -0.165  -1.909  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1        8.218   1.105  -2.190  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        9.531  -0.537  -2.795  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        9.119  -0.215  -0.671  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 9