REMARK  Name = BDB046106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.378  -1.290   0.270  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.183  -1.149   0.009  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -2.590   0.212  -0.013  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.201   0.467   0.049  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -0.768   1.796   0.081  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.642   2.888   0.046  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.008   2.621  -0.019  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.604   1.777   0.165  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1        1.180   2.601   0.257  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        1.074   0.490   0.169  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -0.024  -0.352   0.094  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1       -0.020  -1.844   0.037  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.134  -2.380  -0.856  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.475   1.309  -0.043  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.449  -2.277  -0.254  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.028  -3.108  -0.251  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.466   0.189   0.261  0.00  0.00    +0.063 A 
ATOM     18  N   LIG    1        3.420   0.799  -0.518  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1        3.231   1.482  -1.238  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1        4.660   0.306  -0.206  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1        4.503  -0.639   0.782  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        3.119  -0.718   1.071  0.00  0.00    +0.029 A 
ENDBRANCH  10  17
TORSDOF 1