REMARK  Name = BDB001175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.829  -1.590  -1.287  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.923  -1.157  -0.311  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.277  -1.853  -0.132  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.588  -2.970  -0.914  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.305  -3.385  -1.900  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.506  -2.695  -2.089  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.596  -0.917  -2.658  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.129  -0.894  -1.526  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -3.693  -0.305  -0.412  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.233  -0.455   0.485  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.890   0.446  -0.315  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.306   0.944   0.946  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -6.495   1.686   1.048  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -7.257   1.936  -0.083  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -8.387   2.645   0.025  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.862   1.462  -1.323  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.683   0.721  -1.439  0.00  0.00    +0.027 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -4.567   0.753   2.226  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -4.925   1.164   3.315  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.409   0.071   2.108  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -3.060   0.069   3.030  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  S   LIG    1        1.418  -1.340   1.129  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1        1.796  -2.530   1.861  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        0.853  -0.191   1.805  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        2.753  -0.809   0.233  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1        4.036  -0.867   0.987  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1        5.086   0.139   0.575  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        4.686   1.393   0.087  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        5.641   2.372  -0.204  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.997   2.095  -0.028  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.400   0.849   0.451  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.214   1.641  -0.088  0.00  0.00    +0.052 C 
ATOM     33  C   LIG    1        6.449  -0.124   0.760  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        2.558   0.379  -0.643  0.00  0.00    +0.114 C 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6