REMARK  Name = BDB062193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.932  -0.152   2.075  0.00  0.00    +0.163 C 
ATOM      2  N   LIG    1        1.755  -0.906   3.189  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        2.529  -0.920   4.411  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1        0.666  -1.698   2.977  0.00  0.00    +0.270 C 
ATOM      5  O   LIG    1        0.148  -2.521   3.707  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.237  -1.308   1.601  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -0.840  -1.845   1.014  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.085  -0.343   1.112  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.363  -1.514  -0.321  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -2.753  -1.540  -0.516  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.243  -1.260  -1.776  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -4.556  -1.234  -2.129  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.454  -0.893  -3.527  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.094  -0.727  -3.980  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -2.411  -0.972  -2.830  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -1.042  -0.952  -2.685  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -0.518  -1.232  -1.418  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  S   LIG    1        3.243   0.977   2.003  0.00  0.00    -0.090 S 
BRANCH  18  19
ATOM     19  C   LIG    1        2.843   1.896   0.486  0.00  0.00    +0.077 C 
BRANCH  19  21
ATOM     20  C   LIG    1        1.403   3.672  -0.557  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        1.721   2.906   0.719  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4