REMARK  Name = BDB031348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.371  -0.717   2.471  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.620  -0.664   1.274  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        0.266  -0.451   0.236  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.103  -0.572  -0.699  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.645  -0.165   0.327  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        2.350  -0.066  -0.884  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.694   0.220  -0.809  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.348   0.410   0.405  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.684   0.680   0.136  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.417   0.862   0.803  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.877   0.660  -1.252  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.923   0.854  -1.846  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.690   0.325   1.606  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        4.630   0.373  -1.827  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        4.479   0.294  -2.819  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.318   0.034   1.556  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -2.016  -0.899   0.837  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -2.684  -0.038  -0.024  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1       -2.242   1.233  -0.670  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.594   1.787  -1.155  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1       -4.500   0.641  -1.344  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -5.482   0.844  -1.168  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1       -3.997  -0.304  -0.417  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -4.655  -1.446   0.008  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.003  -2.301   0.900  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -2.694  -2.025   1.322  0.00  0.00    +0.013 A 
ENDBRANCH   2  17
TORSDOF 2