REMARK  Name = BDB017983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.254  -0.852   3.363  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.097   0.205   2.760  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1        1.334   0.370   1.264  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1        1.106  -0.955   0.493  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -0.197  -0.712  -0.314  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.411  -1.354   0.352  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.977  -2.294  -0.517  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.091  -3.046  -0.198  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.658  -2.842   1.060  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -3.101  -1.910   1.949  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -3.649  -1.716   3.158  0.00  0.00    -0.204 F 
ATOM     12 CL   LIG    1       -5.052  -3.749   1.509  0.00  0.00    -0.081 Cl
ATOM     13  N   LIG    1       -1.275  -2.339  -1.706  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1       -1.500  -2.904  -2.512  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -1.973  -1.162   1.605  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1       -0.282   0.744  -0.479  0.00  0.00    -0.281 NA
ATOM     17  C   LIG    1       -0.225  -1.426  -1.724  0.00  0.00    +0.243 C 
ATOM     18  O   LIG    1        0.485  -1.236  -2.699  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        0.442   1.431   0.586  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -0.384   2.285   1.557  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        0.438   2.575   2.798  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1        0.758   1.334   3.450  0.00  0.00    -0.315 N 
ATOM     23  H   LIG    1        0.649   1.228   4.452  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  24
ATOM     24  C   LIG    1        2.331  -1.401  -0.299  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1        3.062  -0.539  -1.131  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1        2.709   0.752  -1.224  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        4.163  -0.997  -1.858  0.00  0.00    +0.076 A 
ATOM     28 CL   LIG    1        5.061   0.077  -2.863  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        4.554  -2.332  -1.767  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.842  -3.205  -0.946  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        2.741  -2.744  -0.220  0.00  0.00    +0.007 A 
ENDBRANCH   4  24
BRANCH  16  32
ATOM     32  C   LIG    1       -1.466   1.323  -1.077  0.00  0.00    +0.089 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.093   2.537  -1.877  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -1.526   3.924  -1.469  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -2.163   3.264  -2.656  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH  16  32
TORSDOF 3