REMARK  Name = BDB063879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.443  -3.282   1.925  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.306  -2.219   1.354  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.349  -1.347   0.745  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.650  -1.657   0.802  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.748  -0.243   0.176  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.520  -0.405   0.410  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.830  -1.526   1.096  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.763  -1.833   1.338  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.766  -0.872   0.252  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.989  -0.885   0.944  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.078  -0.167   0.417  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.984   0.546  -0.779  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.138   1.203  -1.174  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.085   0.989  -0.290  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.759   0.538  -1.473  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.673   0.005   1.048  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.668  -0.173  -0.954  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.468   0.478   0.001  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.048   1.337  -0.344  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.801   0.607   0.593  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.704  -0.568   0.115  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -5.173  -0.163   0.056  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.408   0.982  -0.928  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.214   1.931  -1.054  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -3.395   1.982   0.230  0.00  0.00    +0.025 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.551  -1.684   1.006  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -4.157  -2.382   0.695  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4