REMARK  Name = BDB017278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.285  -0.200  -1.894  0.00  0.00    +0.088 A 
ATOM      2  C   LIG    1        5.081  -0.974  -0.748  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        3.874  -0.873  -0.039  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.865   0.007  -0.498  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.655   0.106   0.214  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.437  -0.652   1.371  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        2.441  -1.523   1.812  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.088   0.761  -1.663  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.647  -1.633   1.115  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.291   0.657  -2.364  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.852   0.867  -2.021  0.00  0.00    +0.200 C 
ATOM     12  S   LIG    1        6.813  -0.348  -2.789  0.00  0.00    -0.006 S 
ATOM     13  O   LIG    1        7.361  -1.660  -2.502  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        6.561   0.071  -4.154  0.00  0.00    -0.170 OA
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  C   LIG    1        0.167  -0.589   2.166  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1       -0.005  -1.411   3.066  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -0.893   0.457   1.832  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.857  -0.154   0.799  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.082   0.644   0.718  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.855   0.597   1.968  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -3.007   0.311   3.216  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -1.623   0.936   3.103  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.852   0.387  -0.502  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -4.335  -1.049  -0.739  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.421  -0.925  -1.810  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.804   0.554  -1.872  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.142   1.199  -0.660  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 4