REMARK  Name = BDB051657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.799  -1.107   0.975  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.608  -0.855   0.854  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.119   0.309   0.065  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.748   0.441  -0.241  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.306   1.621  -0.861  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1        0.163   1.868  -1.048  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.952   0.570  -1.119  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.632  -0.358  -0.031  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.578  -1.360   0.283  0.00  0.00    +0.222 C 
ATOM     10  O   LIG    1        1.213  -2.477   0.665  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.230   2.619  -1.208  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.589   2.450  -0.951  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.800  -0.713   0.092  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.243  -1.243   1.479  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.035   1.300  -0.305  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.647  -1.620   1.465  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.991  -2.341   2.087  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        3.079  -1.000   0.143  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.626   0.158   1.003  0.00  0.00    +0.095 C 
ATOM     20  N   LIG    1        4.214  -0.815   1.936  0.00  0.00    -0.314 NA
ATOM     21  H   LIG    1        3.633  -0.999   2.757  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        4.098  -1.867   0.911  0.00  0.00    +0.095 C 
ENDBRANCH   9  18
TORSDOF 1