REMARK  Name = BDB057173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.681   0.510  -0.865  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        2.429   1.081  -1.861  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.058   1.432  -2.731  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.744   1.083  -1.473  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.732   0.509  -0.201  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.955   0.367   0.480  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.140   0.806  -0.141  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.109   1.375  -1.416  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.905   1.527  -2.111  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.447   0.146   0.141  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     11  N   LIG    1       -4.219  -1.073  -0.279  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1       -3.037  -0.807   0.568  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -1.912  -0.278  -0.279  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -2.119   0.287  -1.521  0.00  0.00    -0.004 A 
ATOM     15  S   LIG    1       -0.691   0.831  -2.255  0.00  0.00    -0.090 S 
ATOM     16  C   LIG    1        0.259   0.331  -0.915  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.462   0.376  -2.170  0.00  0.00    +0.058 C 
ATOM     18  C   LIG    1       -0.526  -0.244   0.068  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -4.564   0.087  -1.124  0.00  0.00    +0.090 C 
BRANCH  11  21
ATOM     20  C   LIG    1       -6.006  -0.618   1.480  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.356  -1.584   0.494  0.00  0.00    +0.081 C 
ENDBRANCH  11  21
ENDBRANCH   1  16
BRANCH   6  22
ATOM     22  C   LIG    1        4.996  -0.216   1.835  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        4.209   0.088   2.719  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        5.995  -1.127   2.063  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        5.928  -1.629   2.939  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.464  -1.587   1.296  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
TORSDOF 3