REMARK  Name = BDB018991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.190  -1.352  -0.426  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.116  -0.817  -0.277  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.266  -1.555  -0.608  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.543  -0.986  -0.454  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.709   0.303   0.069  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.579   1.034   0.463  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.161  -2.947  -1.170  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.820  -3.571  -0.825  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.304   0.461   0.284  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.290  -2.604  -1.204  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.020  -0.274   0.580  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.722  -0.179  -0.029  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.750   0.875  -0.959  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -2.605   1.248  -1.706  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.433   0.489  -1.496  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -1.375  -0.581  -0.601  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -2.557   2.370  -2.705  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1       -5.045   1.364  -0.944  0.00  0.00    -0.349 N 
ATOM     19  C   LIG    1       -5.572   2.438  -1.757  0.00  0.00    +0.149 C 
ATOM     20  C   LIG    1       -2.526  -0.916   0.123  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.808   0.674  -0.043  0.00  0.00    +0.099 A 
BRANCH  11  25
ATOM     22  C   LIG    1       -4.943  -2.289   3.724  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -4.567  -1.554   2.547  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -3.707  -1.021   2.569  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -5.517  -1.162   1.627  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1       -6.698  -1.482   1.712  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        5.052   0.831   0.197  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.046   0.251   0.955  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.144   1.049   0.813  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.441   0.860   1.416  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.934   2.113   0.017  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.662   1.974  -0.366  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1        2.684   2.414   1.061  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.958   3.364   0.122  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        1.534   2.830   1.669  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4