REMARK  Name = BDB057654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.529  -0.761   1.518  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.535  -0.171   0.444  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.453   0.530  -0.052  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.632   1.223  -0.766  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.772  -0.153  -0.387  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.008  -0.331   0.259  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        5.213  -0.323  -0.461  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        5.138  -0.159  -1.852  0.00  0.00    +0.049 A 
ATOM      9  N   LIG    1        6.308  -0.170  -2.611  0.00  0.00    -0.322 N 
ATOM     10  H   LIG    1        6.274  -0.051  -3.614  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1        7.552  -0.350  -2.084  0.00  0.00    +0.253 A 
ATOM     12  C   LIG    1        7.654  -0.546  -0.604  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        9.069  -0.788  -0.150  0.00  0.00    +0.110 C 
ATOM     14  S   LIG    1        9.200  -1.496   1.514  0.00  0.00    -0.156 S 
ATOM     15  C   LIG    1        7.986  -0.428   2.317  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1        6.607  -0.609   1.685  0.00  0.00    +0.047 C 
ATOM     17  O   LIG    1        8.545  -0.337  -2.806  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        3.915   0.004  -2.508  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        6.547  -0.495   0.174  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        2.728   0.005  -1.775  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   3  21
ATOM     21  C   LIG    1       -0.742   0.721   0.757  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.001   0.864  -0.119  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.209   1.215   0.642  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -4.260   1.731  -0.264  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -5.691   1.652   0.314  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1       -6.059   0.255   0.592  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1       -4.949  -0.663   0.896  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -3.726   0.097   1.466  0.00  0.00    +0.103 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.379  -0.165   0.613  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1       -7.729  -1.516   0.510  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -9.066  -1.894   0.530  0.00  0.00    +0.112 A 
ATOM     32  N   LIG    1      -10.090  -1.030   0.648  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1       -9.752   0.269   0.750  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1       -8.443   0.735   0.735  0.00  0.00    +0.043 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5