REMARK  Name = BDB023371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.490   1.893  -1.062  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.208   1.279  -1.473  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.488   2.078   0.322  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.393   2.631   0.929  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.687   1.512   0.946  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.615   0.859   0.171  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.600   0.423   1.003  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        2.321   0.785   2.312  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.242   0.412   3.298  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        4.391  -0.302   2.942  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.655  -0.671   1.610  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        3.036   0.734   4.582  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.735  -0.288   0.613  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.088   1.485   2.270  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        5.910  -1.430   1.251  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        6.220  -2.745   1.928  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.817  -2.730   0.485  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -1.782   2.203  -2.044  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.062   3.621  -1.987  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.507   1.561  -3.313  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.035  -0.044  -1.061  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.132   1.328  -1.299  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -4.301   2.027  -0.967  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -5.384   1.354  -0.380  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -5.268  -0.022  -0.126  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -4.100  -0.715  -0.457  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.649   2.087   0.000  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -6.827   2.148   1.348  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -7.765   1.484  -0.496  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -6.692   3.373  -0.445  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
BRANCH  21  31
ATOM     31  O   LIG    1       -1.870  -0.711  -1.324  0.00  0.00    -0.490 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -0.662  -2.097  -2.843  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -2.042  -1.689  -2.359  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  21  31
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7