REMARK  Name = BDB033785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.314   0.477   1.091  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -0.559   0.874   2.163  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1        0.774   1.046   1.887  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1        1.317   0.848   0.670  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        0.496   0.471  -0.316  0.00  0.00    +0.218 A 
ATOM      6  N   LIG    1       -0.813   0.266  -0.142  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.131   1.101   3.510  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.114   2.041   3.528  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -1.660  -0.023   4.065  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -0.199   1.540   4.407  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1        0.958   0.264  -1.596  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.249  -0.263  -2.093  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.341  -0.104  -1.885  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        2.801  -1.349  -1.125  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1        4.230  -1.714  -1.505  0.00  0.00    +0.111 C 
ATOM     16  N   LIG    1        5.128  -0.557  -1.359  0.00  0.00    -0.181 NA
ATOM     17  C   LIG    1        4.724   0.664  -2.078  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        3.305   1.071  -1.706  0.00  0.00    +0.039 C 
BRANCH  16  19
ATOM     19  S   LIG    1        6.227  -0.477  -0.089  0.00  0.00    +0.029 S 
ATOM     20  O   LIG    1        6.655  -1.825   0.221  0.00  0.00    -0.158 OA
ATOM     21  O   LIG    1        7.190   0.560  -0.391  0.00  0.00    -0.158 OA
ATOM     22  C   LIG    1        5.224   0.095   1.266  0.00  0.00    +0.215 C 
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  23
ATOM     23  O   LIG    1       -2.661   0.289   1.308  0.00  0.00    -0.470 OA
BRANCH  23  26
ATOM     24  C   LIG    1       -5.451  -0.150   1.780  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -4.707  -0.855   0.638  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -3.453  -0.067   0.164  0.00  0.00    +0.211 C 
ATOM     27  C   LIG    1       -3.854   1.192  -0.612  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -4.830   0.844  -1.723  0.00  0.00    +0.163 C 
ATOM     29  O   LIG    1       -5.975   0.174  -1.202  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -5.643  -1.059  -0.566  0.00  0.00    +0.198 C 
BRANCH  25  31
ATOM     31  O   LIG    1       -4.315  -2.142   1.150  0.00  0.00    -0.383 OA
ATOM     32  H   LIG    1       -3.697  -2.552   0.521  0.00  0.00    +0.210 HD
ENDBRANCH  25  31
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 7