REMARK  Name = BDB002291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.796  -2.236  -1.726  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -2.108  -1.565  -0.965  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -2.749  -0.556  -0.101  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.383   0.790  -0.090  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -2.989   1.672   0.816  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.963   1.204   1.700  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.345  -0.136   1.674  0.00  0.00    +0.001 A 
ATOM      8  S   LIG    1       -1.243   1.438  -1.280  0.00  0.00    +0.062 S 
ATOM      9  O   LIG    1       -1.767   1.117  -2.587  0.00  0.00    -0.153 OA
ATOM     10  O   LIG    1       -0.961   2.808  -0.904  0.00  0.00    -0.153 OA
ATOM     11  N   LIG    1        0.170   0.546  -1.019  0.00  0.00    -0.172 NA
ATOM     12  C   LIG    1        0.206  -0.832  -1.565  0.00  0.00    +0.117 C 
ATOM     13  C   LIG    1       -3.743  -1.015   0.774  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -0.634  -1.804  -0.768  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1        0.879   0.787   0.259  0.00  0.00    +0.144 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.344   0.413   0.226  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        3.208   1.036  -0.687  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.561   0.699  -0.725  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.064  -0.261   0.151  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.216  -0.884   1.065  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.862  -0.549   1.105  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 2