REMARK  Name = BDB036953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.995   0.914   0.038  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.800   0.634   0.049  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.958   1.073  -0.943  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.386   1.631  -1.669  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.580   1.011  -0.973  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1       -0.967   1.655  -1.823  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.919   0.217   0.141  0.00  0.00    +0.196 C 
ATOM      8  C   LIG    1       -1.885  -0.817   0.727  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -3.159  -0.126   1.184  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.315  -0.391  -0.327  0.00  0.00    -0.234 N 
ATOM     11  C   LIG    1        1.583  -0.002   0.018  0.00  0.00    +0.159 A 
ATOM     12  C   LIG    1        2.439  -0.857  -0.662  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        3.819  -0.668  -0.505  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        4.229   0.371   0.333  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.267   1.153   0.963  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        1.580  -1.732  -1.360  0.00  0.00    +0.144 A 
ATOM     17  N   LIG    1        1.926   1.007   0.846  0.00  0.00    -0.236 NA
ATOM     18  N   LIG    1        0.285  -1.476  -1.142  0.00  0.00    -0.176 NA
ENDBRANCH   7  10
TORSDOF 1