REMARK  Name = BDB057164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107  -0.132  -0.100  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.793  -0.741  -1.121  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.386  -1.333  -1.828  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.124  -0.428  -1.005  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.188   0.412   0.105  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.442   0.918   0.488  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.585   0.555  -0.250  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.479  -0.291  -1.355  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.240  -0.801  -1.759  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.934   0.559   0.657  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        5.413   1.096   0.222  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1        5.086  -0.076   1.033  0.00  0.00    -0.300 NA
ATOM     13  C   LIG    1        3.841   0.138   1.813  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        2.604  -0.107   0.997  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        2.566  -0.809  -0.191  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1        1.238  -0.890  -0.709  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        0.311  -0.254   0.100  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.824  -1.349  -0.797  0.00  0.00    +0.051 C 
ATOM     19  S   LIG    1        1.070   0.435   1.481  0.00  0.00    -0.089 S 
ATOM     20  C   LIG    1        4.993  -1.308   0.217  0.00  0.00    +0.089 C 
ENDBRANCH   1  17
BRANCH   6  21
ATOM     21  C   LIG    1       -4.566   1.832   1.636  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -3.879   2.834   1.766  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -5.530   1.505   2.554  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.509   2.044   3.410  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.902   0.567   2.601  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 2