REMARK  Name = BDB002601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -1.663   0.793  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -1.284  -1.567  -0.216  0.00  0.00    +0.115 A 
ATOM      3  N   LIG    1       -1.243  -2.587  -1.163  0.00  0.00    -0.140 NA
ATOM      4  N   LIG    1       -0.316  -3.485  -0.881  0.00  0.00    -0.109 NA
ATOM      5  S   LIG    1        0.537  -3.122   0.507  0.00  0.00    +0.043 S 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.254  -0.495  -0.356  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.185  -0.225   0.655  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.105   0.815   0.502  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.104   1.583  -0.661  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.188   1.312  -1.676  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.267   0.273  -1.527  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   1  12
ATOM     12  S   LIG    1        0.041  -0.616   2.149  0.00  0.00    -0.103 S 
BRANCH  12  13
ATOM     13  C   LIG    1        0.490   0.932   1.312  0.00  0.00    +0.195 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.583   0.731   0.292  0.00  0.00    +0.317 C 
ATOM     15  O   LIG    1        1.423   0.857  -0.916  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        2.760   0.399   0.892  0.00  0.00    -0.464 OA
BRANCH  16  18
ATOM     17  C   LIG    1        5.056  -0.250   0.787  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        3.839   0.156  -0.019  0.00  0.00    +0.229 C 
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6