REMARK  Name = BDB006852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.508  -0.737  -1.047  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.055  -0.930   0.248  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        1.106  -0.361   0.807  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.273  -0.811   2.121  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.347  -0.404   2.900  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.266   0.484   2.342  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.096   0.933   1.020  0.00  0.00    +0.107 A 
ATOM      8  C   LIG    1        0.201  -1.780   2.502  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        2.008   0.522   0.241  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -0.756  -1.676   1.309  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        0.096  -0.088  -1.905  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  S   LIG    1        4.273   2.087   0.357  0.00  0.00    +0.060 S 
ATOM     13  O   LIG    1        4.664   2.969   1.438  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        3.761   2.620  -0.888  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1        5.613   1.085  -0.020  0.00  0.00    -0.183 NA
ATOM     16  C   LIG    1        6.846   1.863  -0.286  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1        5.364   0.090  -1.089  0.00  0.00    +0.131 C 
ENDBRANCH  12  15
ENDBRANCH   7  12
BRANCH   1  18
ATOM     18  C   LIG    1       -1.836  -1.414  -1.426  0.00  0.00    +0.181 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -4.636   2.653  -0.826  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -4.444   1.202  -0.388  0.00  0.00    +0.065 C 
ATOM     21  N   LIG    1       -5.671   0.441  -0.707  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -5.832   0.499  -1.712  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -5.466  -0.972  -0.350  0.00  0.00    +0.096 C 
ATOM     24  C   LIG    1       -4.217  -1.587  -1.017  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1       -2.989  -0.830  -0.707  0.00  0.00    -0.291 NA
ATOM     26  C   LIG    1       -3.180   0.596  -1.059  0.00  0.00    +0.103 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4