REMARK  Name = BDB063276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.141   0.943  -0.891  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.027   1.259  -1.737  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        1.334   1.568  -0.956  0.00  0.00    +0.086 C 
ATOM      4  C   LIG    1        1.221   2.846  -0.122  0.00  0.00    +0.029 C 
ATOM      5  N   LIG    1        1.700   0.430  -0.087  0.00  0.00    -0.304 N 
ATOM      6  C   LIG    1        0.640  -0.537   0.223  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.755   0.128   0.281  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.025   0.123   0.054  0.00  0.00    +0.162 A 
ATOM      9  S   LIG    1        3.602  -1.319   0.825  0.00  0.00    -0.052 S 
ATOM     10  C   LIG    1        5.229  -0.849   0.555  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.237   0.376  -0.104  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        6.475   0.963  -0.428  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.667   0.311  -0.087  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.649  -0.926   0.568  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        6.416  -1.516   0.904  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1        3.991   0.905  -0.380  0.00  0.00    -0.225 NA
BRANCH  14  17
ATOM     17  C   LIG    1        8.942  -1.609   0.950  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.973  -1.308   0.113  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.847  -2.968   0.948  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.359  -1.264   2.199  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   5   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.207   0.327  -1.694  0.00  0.00    +0.119 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -5.926   2.608   0.850  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.329   1.362   0.266  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -4.104   1.415  -0.409  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.540   0.263  -0.976  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.240  -0.949  -0.886  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.476  -1.021  -0.226  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -6.012   0.142   0.345  0.00  0.00    +0.007 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.215  -2.335  -0.128  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.589  -3.328   0.822  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -4.460  -3.330   1.282  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.436  -4.338   1.120  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.915  -4.908   1.724  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7