REMARK  Name = BDB052155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.232   1.349   0.956  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.722   0.728   0.143  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -2.071   0.642   0.537  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.425   1.180   1.782  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -3.743   1.087   2.227  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -4.012   1.472   3.122  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.738   0.474   1.527  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -4.383  -0.117   0.198  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.553  -0.802  -0.457  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.092  -1.918  -1.812  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -3.902  -0.825  -2.614  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.744  -0.505  -1.671  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -5.882   0.426   1.972  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.484   1.805   2.600  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.126  -0.002  -0.293  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.159   1.888   2.182  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        1.564   1.489   0.682  0.00  0.00    -0.487 OA
BRANCH  17  20
ATOM     18  N   LIG    1        3.712  -0.702  -0.964  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        2.332  -0.527  -0.488  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        2.069   0.986  -0.558  0.00  0.00    +0.189 C 
ATOM     21  C   LIG    1        3.455   1.598  -0.779  0.00  0.00    +0.061 C 
ATOM     22  C   LIG    1        4.424   0.472  -0.457  0.00  0.00    +0.088 C 
BRANCH  18  24
ATOM     23  C   LIG    1        5.654  -2.237  -1.127  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        4.283  -1.974  -0.516  0.00  0.00    +0.081 C 
ENDBRANCH  18  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 3