REMARK  Name = BDB047647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.301  -0.359  -0.364  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.965   0.322  -0.434  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        2.799  -0.378  -0.079  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        1.546   0.272  -0.115  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.505   1.612  -0.497  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1        0.189   2.009  -0.455  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1       -0.136   2.937  -0.684  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -0.623   0.979  -0.052  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.010   0.925   0.136  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1       -3.066   1.975  -0.077  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -4.239   1.381   0.715  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -4.080  -0.146   0.665  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -2.596  -0.278   0.554  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -1.802  -1.377   0.759  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1       -2.163  -2.739   1.171  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1       -3.280  -3.152   1.409  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1       -0.990  -3.459   1.232  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -0.990  -4.435   1.493  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.171  -2.680   0.882  0.00  0.00    +0.141 C 
ATOM     20  C   LIG    1       -0.411  -1.331   0.580  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        2.651   2.336  -0.842  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        0.202  -0.134   0.167  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.880   1.669  -0.797  0.00  0.00    +0.005 A 
ENDROOT
TORSDOF 0