REMARK  Name = BDB020998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.060   0.236  -1.040  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.141   1.154  -2.087  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.963   1.548  -2.741  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.361   1.679  -2.518  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.521   1.248  -1.861  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        2.495   0.327  -0.812  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        3.861   0.167  -0.444  0.00  0.00    +0.103 A 
ATOM      8  N   LIG    1        4.678   0.899  -1.214  0.00  0.00    -0.170 NA
ATOM      9  N   LIG    1        3.847   1.547  -2.046  0.00  0.00    -0.266 N 
ATOM     10  C   LIG    1        4.399   2.441  -3.037  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1        1.245  -0.195  -0.412  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -4.147   4.226  -0.937  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.793   3.207  -0.030  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -4.130   1.999   0.144  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -2.753   1.786  -0.317  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -2.367   0.350  -0.285  0.00  0.00    +0.064 A 
ATOM     17  N   LIG    1       -3.215  -0.635   0.162  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1       -2.559  -1.829   0.122  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1       -1.330  -1.670  -0.313  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -4.561  -0.379   0.626  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1       -1.198  -0.326  -0.589  0.00  0.00    +0.097 A 
ATOM     22  C   LIG    1       -4.664   1.054   1.127  0.00  0.00    +0.129 C 
ATOM     23  O   LIG    1       -5.872   3.456   0.508  0.00  0.00    -0.276 OA
BRANCH  18  24
ATOM     24  C   LIG    1       -3.149  -3.210   0.527  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -2.230  -4.249   1.117  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -3.240  -3.562   1.990  0.00  0.00    +0.012 C 
ENDBRANCH  18  24
ENDBRANCH   1  21
BRANCH   7  27
ATOM     27  C   LIG    1        4.393  -0.683   0.617  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        5.682  -1.154   0.748  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1        5.704  -1.884   1.897  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        6.833  -2.581   2.462  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        4.519  -1.914   2.537  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        3.726  -1.170   1.757  0.00  0.00    +0.144 A 
ENDBRANCH   7  27
TORSDOF 3