REMARK  Name = BDB033717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991  -0.839  -1.622  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -0.027  -1.126  -2.499  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -1.274  -1.181  -1.931  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -1.507  -0.969  -0.618  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.451  -0.696   0.159  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1        0.801  -0.599  -0.306  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.170  -1.349  -3.889  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1        0.294  -1.532  -5.028  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1       -0.598  -0.499   1.510  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.243  -0.088   1.898  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -1.855  -0.066   2.115  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -2.944  -1.146   2.060  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -4.200  -0.657   1.351  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1       -4.669   0.590   1.990  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1       -3.671   1.669   2.167  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -2.313   1.295   1.587  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1       -6.282   1.045   1.763  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -7.106  -0.139   1.875  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1       -6.530   2.215   2.578  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1       -6.293   1.554   0.055  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1        2.269  -0.728  -2.135  0.00  0.00    -0.469 OA
BRANCH  21  24
ATOM     22  C   LIG    1        3.315   1.787  -1.506  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1        3.700   0.620  -0.589  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        3.342  -0.789  -1.176  0.00  0.00    +0.212 C 
ATOM     25  C   LIG    1        4.547  -1.383  -1.902  0.00  0.00    +0.122 C 
ATOM     26  C   LIG    1        5.689  -1.618  -0.927  0.00  0.00    +0.252 C 
ATOM     27  F   LIG    1        5.581  -2.864  -0.398  0.00  0.00    -0.206 F 
ATOM     28  F   LIG    1        6.855  -1.601  -1.623  0.00  0.00    -0.206 F 
ATOM     29  C   LIG    1        5.764  -0.612   0.214  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1        5.197   0.736  -0.219  0.00  0.00    +0.044 C 
BRANCH  23  31
ATOM     31  O   LIG    1        2.966   0.798   0.634  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        2.051   0.499   0.451  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7