REMARK  Name = BDB017988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.598  -2.391  -2.305  0.00  0.00    -0.250 OA
ATOM      2  C   LIG    1        1.406  -2.093  -2.297  0.00  0.00    +0.312 C 
ATOM      3  C   LIG    1        0.715  -1.685  -1.018  0.00  0.00    +0.125 C 
ATOM      4  C   LIG    1        1.141  -0.272  -0.573  0.00  0.00    +0.071 C 
ATOM      5  C   LIG    1       -0.009   0.157   0.377  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.270   1.650   0.374  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.092   2.155   1.666  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.252   3.489   1.975  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.602   4.344   0.931  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -0.784   3.861  -0.376  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1       -0.820   6.023   1.248  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1        0.249   1.138   2.543  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        0.418   1.239   3.532  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.617   2.502  -0.663  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -1.147  -0.718   0.029  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1        0.320  -0.093   1.898  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1        0.578  -1.155   2.446  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -0.806  -1.584  -1.092  0.00  0.00    +0.076 C 
ATOM     19  C   LIG    1       -1.278  -1.081  -2.449  0.00  0.00    +0.061 C 
ATOM     20  C   LIG    1       -0.720  -2.016  -3.494  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1        0.711  -2.065  -3.454  0.00  0.00    -0.464 OA
ENDROOT
BRANCH   4  22
ATOM     22  C   LIG    1        2.551  -0.084  -0.039  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1        3.211   1.135  -0.267  0.00  0.00    +0.145 A 
ATOM     24  F   LIG    1        2.581   2.095  -0.964  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1        4.499   1.369   0.216  0.00  0.00    +0.076 A 
ATOM     26 CL   LIG    1        5.282   2.876  -0.069  0.00  0.00    -0.081 Cl
ATOM     27  C   LIG    1        5.159   0.381   0.941  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.522  -0.836   1.181  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.230  -1.066   0.697  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH  15  30
ATOM     30  C   LIG    1       -2.502  -0.248   0.225  0.00  0.00    +0.089 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.439  -1.413   0.375  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -3.376  -2.294   1.599  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -4.548  -1.376   1.398  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH  15  30
TORSDOF 3