REMARK  Name = BDB052151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206   0.127   0.204  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.032  -0.423  -0.159  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        2.218   0.326  -0.103  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.127   1.647   0.350  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1        3.280   2.424   0.452  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.230   3.380   0.774  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.529   1.969   0.151  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        4.652   0.553  -0.324  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        6.080   0.154  -0.581  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        6.337  -1.638  -0.699  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        4.913  -2.007  -1.744  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        3.613  -1.625  -1.040  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        5.507   2.703   0.257  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.901   2.210   0.711  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.550  -0.216  -0.483  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.267   1.449   0.635  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1       -1.257  -0.738   0.084  0.00  0.00    -0.488 OA
BRANCH  17  21
ATOM     18  C   LIG    1       -5.183   1.407   0.360  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -4.704   0.498  -0.678  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -3.237   0.434  -0.723  0.00  0.00    +0.128 C 
ATOM     21  C   LIG    1       -2.575  -0.309   0.460  0.00  0.00    +0.187 C 
ATOM     22  C   LIG    1       -3.364  -1.579   0.834  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -4.344  -1.976  -0.265  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -5.321  -0.834  -0.567  0.00  0.00    +0.084 C 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 2