REMARK  Name = BDB001970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.359  -0.658  -0.912  0.00  0.00    +0.154 A 
ATOM      2  N   LIG    1       -1.599  -1.030  -0.497  0.00  0.00    -0.274 N 
ATOM      3  C   LIG    1       -1.640  -2.400  -0.703  0.00  0.00    +0.180 A 
ATOM      4  S   LIG    1       -2.837  -3.533  -0.499  0.00  0.00    -0.011 S 
ATOM      5  N   LIG    1       -0.405  -2.737  -1.247  0.00  0.00    -0.254 N 
ATOM      6  H   LIG    1       -0.110  -3.658  -1.550  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1        0.374  -1.632  -1.391  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.634  -0.201  -0.007  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.926   1.024  -0.625  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.946   1.848  -0.138  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.688   1.458   0.973  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.413   0.244   1.594  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.395  -0.581   1.106  0.00  0.00    +0.026 A 
ENDBRANCH   2   8
BRANCH   1  14
ATOM     14  C   LIG    1        0.173   0.763  -0.835  0.00  0.00    +0.181 C 
BRANCH  14  17
ATOM     15  O   LIG    1        1.605   1.001   1.519  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        2.241   0.755   0.497  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1        1.622   0.732  -0.742  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1        2.098   0.232  -1.481  0.00  0.00    +0.150 HD
BRANCH  16  19
ATOM     19  C   LIG    1        3.663   0.456   0.478  0.00  0.00    +0.189 A 
ATOM     20  O   LIG    1        4.316   0.368   1.681  0.00  0.00    -0.458 OA
ATOM     21  C   LIG    1        5.617   0.085   1.425  0.00  0.00    +0.196 A 
ATOM     22  C   LIG    1        5.829  -0.011   0.072  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        4.574   0.229  -0.541  0.00  0.00    +0.054 A 
ENDBRANCH  16  19
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4