REMARK  Name = BDB051664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.854  -2.050  -0.765  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.721  -1.615  -0.601  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.460  -0.195  -0.238  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.163   0.228   0.118  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -1.949   1.585   0.414  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.561   2.078   0.718  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1        0.385   0.945   1.127  0.00  0.00    +0.090 C 
ATOM      8  N   LIG    1        0.319  -0.184   0.172  0.00  0.00    -0.289 NA
ATOM      9  C   LIG    1       -3.016   2.493   0.352  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.298   2.058   0.017  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.036  -0.797   0.242  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.283  -1.875  -0.844  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -4.521   0.716  -0.280  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1       -2.622  -2.422  -0.757  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -2.827  -3.333  -1.152  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        1.375  -1.169   0.489  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.778  -0.659   0.225  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        3.764  -0.738   1.219  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.062  -0.288   0.967  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.389   0.239  -0.281  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.420   0.315  -1.280  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.123  -0.135  -1.031  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 2