REMARK  Name = BDB002244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.278  -0.659  -0.664  0.00  0.00    +0.138 A 
ATOM      2  C   LIG    1        0.047  -0.235  -0.314  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1       -0.992  -1.041  -0.827  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -0.543  -2.094  -1.648  0.00  0.00    +0.132 A 
ATOM      5  S   LIG    1       -1.402  -3.202  -2.556  0.00  0.00    -0.024 S 
ATOM      6  S   LIG    1        1.225  -2.039  -1.710  0.00  0.00    -0.053 S 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.213   0.787   0.603  0.00  0.00    -0.194 N 
ATOM      8  C   LIG    1        0.060   2.132   0.301  0.00  0.00    +0.224 C 
ATOM      9  O   LIG    1        0.018   3.053   1.119  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.391   2.467  -1.141  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -0.570   0.353   1.890  0.00  0.00    +0.224 C 
ATOM     12  O   LIG    1       -0.384  -0.809   2.272  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.186   1.353   2.836  0.00  0.00    +0.110 C 
ENDBRANCH   2   7
BRANCH   3  14
ATOM     14  C   LIG    1       -2.376  -0.831  -0.533  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -3.156  -1.867  -0.001  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.497  -1.651   0.327  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.072  -0.399   0.130  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.307   0.641  -0.393  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.966   0.427  -0.720  0.00  0.00    +0.026 A 
ENDBRANCH   3  14
BRANCH   1  20
ATOM     20  C   LIG    1        2.565  -0.123  -0.163  0.00  0.00    +0.349 C 
ATOM     21  O   LIG    1        2.653   0.861   0.557  0.00  0.00    -0.244 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.621  -0.844  -0.617  0.00  0.00    -0.461 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.963  -1.299  -0.737  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.900  -0.387  -0.158  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5