REMARK  Name = BDB040086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482  -0.990   0.881  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.153  -0.677  -0.337  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.454  -1.125  -0.678  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -2.104  -1.922   0.282  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.502  -2.245   1.495  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.222  -1.779   1.791  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.021   1.107   0.435  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.877   0.463   0.874  0.00  0.00    -0.002 A 
ATOM      9  C   LIG    1        2.589   0.207   0.172  0.00  0.00    +0.151 C 
ATOM     10  N   LIG    1        1.793  -0.513   1.159  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1        2.504  -0.679   2.354  0.00  0.00    +0.251 C 
ATOM     12  O   LIG    1        2.189  -1.201   3.408  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        3.821  -0.061   2.160  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        4.876   0.026   3.051  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.033   0.673   2.617  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.105   1.209   1.317  0.00  0.00    +0.017 A 
BRANCH   7  18
ATOM     17  C   LIG    1        5.177   2.115  -1.989  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        5.105   1.656  -0.882  0.00  0.00    -0.069 C 
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -2.180  -0.695  -2.066  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -1.300  -0.718  -3.346  0.00  0.00    +0.177 C 
ATOM     21  O   LIG    1       -1.910  -1.951  -3.792  0.00  0.00    -0.378 OA
ATOM     22  C   LIG    1       -2.986  -1.775  -2.837  0.00  0.00    +0.177 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.918   0.636  -1.871  0.00  0.00    +0.248 C 
ATOM     24  F   LIG    1       -3.371   1.080  -3.081  0.00  0.00    -0.236 F 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.062   0.517  -0.918  0.00  0.00    +0.168 A 
ATOM     26  N   LIG    1       -4.180   1.193   0.270  0.00  0.00    -0.318 N 
ATOM     27  C   LIG    1       -3.271   2.154   0.834  0.00  0.00    +0.151 C 
ATOM     28  C   LIG    1       -5.332   0.754   0.845  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1       -5.897  -0.138   0.067  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1       -5.103  -0.285  -1.042  0.00  0.00    -0.132 NA
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  19
TORSDOF 5