REMARK  Name = BDB002584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.775   0.196  -0.291  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -0.120   1.209  -0.591  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.196   2.554  -1.146  0.00  0.00    +0.067 C 
ATOM      4  N   LIG    1       -1.448   0.906  -0.335  0.00  0.00    -0.229 NA
ATOM      5  C   LIG    1       -1.578  -0.306   0.150  0.00  0.00    +0.168 A 
ATOM      6  S   LIG    1       -0.091  -1.149   0.323  0.00  0.00    -0.045 S 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.762  -0.951   0.524  0.00  0.00    -0.254 N 
ATOM      8  C   LIG    1       -4.000  -0.316   0.406  0.00  0.00    +0.218 C 
ATOM      9  O   LIG    1       -5.053  -0.881   0.735  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -4.105   1.092  -0.131  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -2.776  -2.314   1.055  0.00  0.00    +0.140 C 
ENDBRANCH   5   7
BRANCH   1  12
ATOM     12  C   LIG    1        2.216   0.207  -0.444  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1        2.865   1.152  -0.876  0.00  0.00    -0.244 OA
BRANCH  12  14
ATOM     14  O   LIG    1        2.768  -0.975  -0.042  0.00  0.00    -0.461 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.857  -0.519   1.094  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        4.195  -1.076  -0.153  0.00  0.00    +0.229 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 4