REMARK  Name = BDB059307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.333  -2.048  -1.997  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.196  -1.498  -1.034  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.498  -0.618  -0.219  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.019   0.122   0.261  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.635  -1.711  -0.719  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.165  -1.456   0.553  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.531  -1.657   0.821  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.352  -2.132  -0.213  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.824  -2.404  -1.479  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.470  -2.197  -1.731  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.040  -1.363   2.163  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1       -3.190  -0.868   3.148  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1       -3.859  -0.678   4.264  0.00  0.00    +0.156 A 
ATOM     14  S   LIG    1       -5.526  -1.069   4.220  0.00  0.00    -0.083 S 
ATOM     15  C   LIG    1       -5.350  -1.533   2.575  0.00  0.00    +0.075 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        1.865  -0.158  -0.779  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.105  -0.730  -1.605  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.887   1.491  -1.246  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        0.853   2.167  -0.486  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        1.916   1.522  -2.691  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.463   2.006  -0.625  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        4.535   2.185  -1.505  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.766   2.611  -1.005  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.918   2.864   0.359  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.841   2.695   1.231  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.607   2.269   0.741  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5