REMARK  Name = BDB042802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.165  -2.911  -0.448  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.190  -2.170  -0.413  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.829  -2.710  -0.294  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.760  -1.821  -0.226  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.443  -2.275  -0.115  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.665  -1.405  -0.115  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.431  -1.858   0.378  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.390  -0.054   0.407  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.853   0.572  -0.298  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.223  -3.658  -0.146  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.298  -4.545  -0.208  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -1.061  -5.862  -0.214  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.047  -0.384  -0.306  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -3.254   0.082  -0.457  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.605  -4.086  -0.273  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -4.289  -0.802  -0.488  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -5.220  -0.405  -0.581  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  18
ATOM     18  C   LIG    1        1.677   0.839   0.296  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        2.826   0.394   1.231  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        3.803  -0.627   0.650  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        4.260  -0.259  -0.748  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        5.026  -1.260  -1.247  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        5.056   0.840  -0.680  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        3.106   0.018  -1.690  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.189   1.102  -1.135  0.00  0.00    +0.011 C 
ENDBRANCH   8  18
BRANCH   9  26
ATOM     26  C   LIG    1       -1.219   1.960   0.236  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -1.705   2.206   1.534  0.00  0.00    +0.045 A 
ATOM     28 CL   LIG    1       -1.966   0.949   2.692  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -2.004   3.510   1.946  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.831   4.585   1.076  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.362   4.360  -0.213  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.062   3.062  -0.630  0.00  0.00    +0.006 A 
ENDBRANCH   9  26
TORSDOF 2