REMARK  Name = BDB059322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038   0.037   0.869  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.160   0.688   0.387  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.207   0.975  -0.594  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.082  -0.637   1.897  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.566   1.744  -3.096  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.501   0.966  -1.815  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.299   0.869  -1.110  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.208   1.462  -1.621  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.226   0.169   0.094  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.387  -0.439   0.601  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.624  -0.354  -0.069  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.651   0.365  -1.282  0.00  0.00    +0.017 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.843  -0.989   0.476  0.00  0.00    +0.160 A 
ATOM     14  N   LIG    1       -5.987  -0.869  -0.227  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.079  -1.460   0.295  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1       -7.074  -2.158   1.478  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -5.862  -2.223   2.119  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -4.739  -1.651   1.645  0.00  0.00    -0.236 NA
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.499   0.240   0.999  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.317  -0.374   1.810  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.504  -0.611  -0.097  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.497  -1.999   0.309  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.132  -0.203  -1.438  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.088   0.088   0.280  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.434   1.329  -0.263  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.688   1.873   0.015  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.589   1.176   0.822  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.242  -0.068   1.353  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.990  -0.620   1.080  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5