REMARK  Name = BDB006106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.576   3.377  -0.203  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.614   2.620  -0.257  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.752   1.251  -0.771  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.623   0.454  -0.799  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        2.644  -0.865  -1.276  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        1.492  -1.690  -1.315  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        0.379  -1.166  -0.878  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        0.302   0.121  -0.390  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -0.604   0.470  -0.103  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.864  -1.370  -1.730  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.020  -0.576  -1.706  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        1.348   0.997  -0.320  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        1.226   2.211   0.130  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        4.966   0.738  -1.226  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        2.350   2.993   0.152  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        2.237   3.936   0.510  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.888  -2.009  -0.882  0.00  0.00    +0.180 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.995  -1.145  -1.314  0.00  0.00    -0.183 NA
ATOM     19  H   LIG    1       -2.022  -0.875  -2.299  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.524  -1.462  -0.698  0.00  0.00    +0.059 S 
ATOM     21  O   LIG    1       -3.612  -2.877  -0.421  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -4.457  -0.785  -1.569  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.459  -0.565   0.830  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1       -3.546   0.831   0.805  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -3.470   1.543   2.001  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.316   0.862   3.210  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.244  -0.533   3.230  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.318  -1.253   2.038  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4