REMARK  Name = BDB003885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.460   0.576  -0.886  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -2.260  -0.593  -0.510  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -3.680  -0.038  -0.210  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -3.871   0.127   1.305  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.103  -0.326   2.149  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.958   0.866   1.699  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.778   1.250   2.623  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.191   0.292   1.832  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.853   0.535   2.842  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.674  -0.715   0.816  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -6.188  -0.499  -0.607  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.748  -0.971  -0.800  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.658   1.336  -0.913  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.220   1.807  -0.731  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.653   0.807  -0.259  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        1.813   1.907  -0.262  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        0.472   1.840  -0.464  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -0.099   0.630  -0.663  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        0.692  -0.520  -0.690  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        2.072  -0.437  -0.483  0.00  0.00    +0.020 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.098   1.018  -0.029  0.00  0.00    +0.341 C 
ATOM     22  O   LIG    1        4.589   2.119   0.154  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.749  -0.168  -0.056  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.570   0.266   1.545  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.185  -0.231   0.148  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.527  -1.725   0.046  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.936   0.521  -0.956  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4