REMARK  Name = BDB033708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.873   0.811   0.205  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.488   1.322   1.420  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.207   1.003   1.791  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.630   0.266   1.029  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.168  -0.170  -0.149  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.063   0.092  -0.602  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.335   2.107   2.249  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -2.994   2.756   2.951  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.950  -0.930  -0.991  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.483  -0.922  -1.893  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.401  -0.780  -1.044  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.857   0.656  -1.301  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.376   0.713  -1.432  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        5.013   0.143  -0.207  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.621  -1.284  -0.003  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        3.108  -1.383   0.170  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.705   0.436  -0.138  0.00  0.00    +0.061 S 
ATOM     18  O   LIG    1        6.908   1.839  -0.443  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        7.351  -0.583  -0.940  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        7.107   0.201   1.605  0.00  0.00    +0.397 C 
ATOM     21  F   LIG    1        6.888  -1.067   2.057  0.00  0.00    -0.223 F 
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  O   LIG    1       -3.118   1.139  -0.284  0.00  0.00    -0.469 OA
BRANCH  22  25
ATOM     23  C   LIG    1       -5.294  -1.968   0.071  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1       -4.741  -0.579   0.405  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -3.850  -0.018  -0.729  0.00  0.00    +0.206 C 
ATOM     26  C   LIG    1       -4.875   0.482  -1.752  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -6.085   0.945  -0.932  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -5.851   0.470   0.502  0.00  0.00    +0.038 C 
BRANCH  24  29
ATOM     29  O   LIG    1       -4.038  -0.679   1.641  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1       -4.695  -0.838   2.343  0.00  0.00    +0.210 HD
ENDBRANCH  24  29
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 8