REMARK  Name = BDB060981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.937   0.349   0.940  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        4.126  -0.779   1.098  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.974  -0.969   0.314  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.654  -0.019  -0.684  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        1.505  -0.201  -1.468  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        0.682  -1.311  -1.256  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        1.000  -2.264  -0.288  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        3.504   1.078  -0.879  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.143  -2.088   0.495  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.644   1.245  -0.088  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        6.140   0.458   1.647  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1        6.500   1.405   1.708  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        6.137  -0.013   2.546  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   6  14
ATOM     14  S   LIG    1       -0.769  -1.514  -2.259  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1       -0.457  -1.027  -3.584  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1       -1.291  -2.843  -2.035  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -1.833  -0.421  -1.584  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1       -1.820   0.512  -1.989  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.226  -0.568  -0.189  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.410   0.311   0.129  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -3.267   1.453   0.930  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.368   2.265   1.206  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.620   1.948   0.682  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.773   0.819  -0.120  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.674   0.005  -0.398  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   6  14
TORSDOF 5