REMARK  Name = BDB028497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.743   0.714  -0.087  0.00  0.00    -0.180 NA
ATOM      2  C   LIG    1        3.677  -0.349  -1.137  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1        3.988  -1.728  -0.534  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        3.121  -2.083   0.597  0.00  0.00    -0.284 N 
ATOM      5  C   LIG    1        1.869  -2.594   0.297  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        1.087  -2.868   1.387  0.00  0.00    -0.297 N 
ATOM      7  H   LIG    1        1.604  -3.240   2.170  0.00  0.00    +0.150 HD
ATOM      8  O   LIG    1        1.473  -2.744  -0.855  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1        3.444  -1.416   1.860  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        2.750  -0.065   2.047  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1        2.542   0.757   0.779  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.287   2.871  -1.655  0.00  0.00    +0.215 C 
ATOM     13  S   LIG    1        4.467   2.181  -0.510  0.00  0.00    +0.029 S 
ATOM     14  O   LIG    1        5.680   1.884  -1.240  0.00  0.00    -0.158 OA
ATOM     15  O   LIG    1        4.492   3.018   0.671  0.00  0.00    -0.158 OA
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -0.258  -3.401   1.230  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.335  -2.314   1.105  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.617  -2.902   1.378  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -3.260  -2.319   0.921  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.382  -1.658  -0.292  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.580  -0.792  -0.453  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.455   0.444   0.350  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -3.527   1.475   0.066  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -4.271   1.437  -1.125  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.238   2.420  -1.376  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.448   3.451  -0.461  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.699   3.503   0.712  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.072   0.304  -2.098  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -3.742   2.523   0.975  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.746  -0.432  -1.874  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6