REMARK  Name = BDB021221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.096   0.104  -0.394  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.531  -0.456   0.792  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.823  -0.270   0.986  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.140  -0.820   2.206  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.037  -1.359   2.671  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.639   0.400   0.058  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.118   0.912  -1.022  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.066  -1.142   1.786  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.239   0.746  -1.219  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.277  -0.243  -1.433  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1        4.622   0.991  -1.529  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        3.273   1.103  -1.194  0.00  0.00    +0.132 A 
ATOM     13  F   LIG    1        2.700   2.313  -1.288  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.528  -0.004  -0.766  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.188  -1.237  -0.667  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.543  -1.356  -1.000  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     17  C   LIG    1        6.744  -0.370  -1.785  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.613  -1.134   0.373  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.710  -0.151  -0.700  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        7.696   1.209  -0.173  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.241  -2.061   3.902  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.376  -2.633   4.904  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.988   0.539   0.291  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.331   1.269  -0.331  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.852  -0.628   0.138  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.240  -0.285   0.586  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.162   0.356  -0.237  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.024   0.860  -1.625  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.494   1.149  -1.933  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.207   1.336  -0.690  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.425   0.693   0.234  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.830   0.419   1.525  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.926  -0.229   2.365  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.651  -0.571   1.895  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.805  -1.186   2.735  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7