REMARK  Name = BDB017276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.717  -0.275  -0.051  0.00  0.00    +0.088 A 
ATOM      2  C   LIG    1        4.667   0.345  -0.735  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        3.350   0.209  -0.272  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.096  -0.568   0.884  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.778  -0.702   1.344  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.717  -0.090   0.664  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.970   0.692  -0.462  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.166  -1.194   1.546  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.279   0.833  -0.931  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.473  -1.055   1.080  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.999   1.289   0.251  0.00  0.00    +0.200 C 
ATOM     12  S   LIG    1        7.379  -0.104  -0.654  0.00  0.00    -0.006 S 
ATOM     13  O   LIG    1        7.300   0.266  -2.054  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        8.117  -1.281  -0.237  0.00  0.00    -0.170 OA
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  C   LIG    1       -0.649  -0.262   1.220  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1       -0.790  -0.103   2.434  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -1.837  -0.628   0.336  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -2.644   0.627  -0.022  0.00  0.00    +0.095 C 
ATOM     19  N   LIG    1       -3.849   0.365  -0.829  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -3.519  -0.431  -2.021  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.779  -1.736  -1.711  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -1.512  -1.467  -0.903  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.955  -0.232  -0.068  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.531   0.757   0.906  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -6.263   1.983   0.419  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -7.025   0.874   1.086  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 5