REMARK  Name = BDB033782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660   0.690   0.782  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -0.647   0.474   0.600  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.438   1.560   0.487  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -0.976   2.850   0.504  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.382   2.965   0.667  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        1.208   1.909   0.806  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.868   4.024   0.369  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.893   4.025   1.266  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.437   4.127  -0.863  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.218   5.208   0.568  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.434  -0.439   0.951  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.916  -1.253   0.642  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        5.338  -0.912  -0.471  0.00  0.00    -0.181 NA
ATOM     14  C   LIG    1        5.059  -1.528   0.860  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1        3.562  -1.589   1.158  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        2.842  -0.371   0.578  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        3.011  -0.317  -0.950  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        4.232  -1.093  -1.436  0.00  0.00    +0.111 C 
BRANCH  13  20
ATOM     19  C   LIG    1        7.212   0.205  -2.069  0.00  0.00    +0.215 C 
ATOM     20  S   LIG    1        6.907  -1.229  -1.058  0.00  0.00    +0.029 S 
ATOM     21  O   LIG    1        7.818  -1.172   0.067  0.00  0.00    -0.158 OA
ATOM     22  O   LIG    1        6.831  -2.398  -1.906  0.00  0.00    -0.158 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -2.783   1.367   0.263  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.346   0.155   0.822  0.00  0.00    +0.203 C 
ATOM     25  C   LIG    1       -3.360  -0.935  -0.277  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -4.473  -1.978  -0.166  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -5.790  -1.524  -0.792  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -6.571  -0.483   0.002  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.799   0.791   0.331  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.717   0.557   1.383  0.00  0.00    +0.047 C 
BRANCH  25  31
ATOM     31  O   LIG    1       -2.117  -1.662  -0.233  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -1.418  -0.994  -0.078  0.00  0.00    +0.210 HD
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7