REMARK  Name = BDB000747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.795   0.798  -0.002  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -3.336   1.055  -0.005  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -2.247   0.200  -0.030  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.267  -1.290  -0.073  0.00  0.00    +0.039 C 
ATOM      5  C   LIG    1       -1.106  -1.972   0.654  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1        0.213  -1.915  -0.118  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        0.918  -0.596  -0.081  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        2.344  -0.405  -0.099  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.591   0.969  -0.068  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        3.881   1.512  -0.072  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.958   0.621  -0.113  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.749  -0.755  -0.148  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        1.369   1.591  -0.036  0.00  0.00    -0.353 N 
ATOM     14  H   LIG    1        1.206   2.588  -0.011  0.00  0.00    +0.166 HD
ATOM     15  C   LIG    1        3.451  -1.280  -0.143  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        0.363   0.667  -0.050  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -1.130   1.068  -0.026  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1       -1.480   2.358   0.008  0.00  0.00    -0.172 NA
ATOM     19  N   LIG    1       -2.820   2.320   0.023  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -3.323   3.201   0.049  0.00  0.00    +0.189 HD
ENDROOT
TORSDOF 0