REMARK  Name = BDB022275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.526   4.360   0.007  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.683   2.954   0.345  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.553   2.083   0.343  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.715   0.728   0.688  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.434  -0.089   0.771  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.721   0.388   0.478  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.848   1.718   0.088  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.074   0.192   0.977  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        3.084   1.073   1.020  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -0.731   2.558   0.032  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.938   2.511   0.722  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1        3.937   3.225   0.802  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -2.807  -0.508   0.540  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -2.663  -1.240   1.234  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.062  -0.511  -0.111  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -5.197  -1.087   0.494  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1       -6.411  -1.018  -0.182  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1       -7.875  -1.681   0.437  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1       -6.591  -0.432  -1.388  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1       -5.482   0.116  -1.946  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1       -4.225   0.102  -1.360  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -5.109  -1.728   1.768  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -4.982  -2.253   2.794  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1       -5.685   0.761  -3.274  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1       -4.809   1.313  -3.915  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1       -6.976   0.655  -3.668  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -7.498   0.173  -2.985  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1        2.205  -1.183   1.170  0.00  0.00    -0.340 N 
ATOM     29  H   LIG    1        1.585  -1.714   0.564  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.524  -1.785   1.394  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        4.460  -2.162   0.263  0.00  0.00    -0.015 C 
ATOM     32  C   LIG    1        4.025  -1.959  -1.166  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1        5.935  -1.955   0.487  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        3.761  -3.234   1.067  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 7