REMARK  Name = BDB002816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.970   0.995   0.122  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1        4.729   1.777  -0.985  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1        5.796   2.777  -1.787  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1        3.046   1.615  -1.465  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1        2.692   0.486  -0.222  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1        1.542  -0.122   0.093  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        3.912   0.245   0.596  0.00  0.00    +0.259 C 
ATOM      8  O   LIG    1        3.959  -0.510   1.559  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.291   0.016  -0.570  0.00  0.00    +0.131 A 
ATOM     10  O   LIG    1       -0.888  -0.216   0.106  0.00  0.00    -0.442 OA
ATOM     11  C   LIG    1       -1.942  -0.034  -0.735  0.00  0.00    +0.189 A 
ATOM     12  C   LIG    1       -1.466   0.303  -1.980  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -0.053   0.325  -1.880  0.00  0.00    +0.051 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -3.188  -0.208  -0.233  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1       -4.370   0.108  -1.031  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -5.509   0.582  -0.132  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -5.886  -0.459   0.920  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -4.719  -1.369   1.298  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.370  -0.671   1.142  0.00  0.00    +0.108 C 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   1  20
ATOM     20  C   LIG    1        6.276   0.816   0.752  0.00  0.00    +0.235 C 
BRANCH  20  22
ATOM     21  O   LIG    1        6.662  -0.897  -0.938  0.00  0.00    -0.249 OA
ATOM     22  C   LIG    1        6.986  -0.374   0.119  0.00  0.00    +0.323 C 
BRANCH  22  23
ATOM     23  O   LIG    1        8.062  -0.795   0.826  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        8.222  -0.324   1.666  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5