REMARK  Name = BDB057847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.404  -0.363  -0.264  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -1.923  -1.064   0.751  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.109  -1.368   1.764  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.243  -1.010   1.784  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        1.037  -1.351   2.909  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.492  -2.050   3.984  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.847  -2.412   3.950  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.701  -0.316   0.649  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.631  -2.067   2.846  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.120   0.014  -0.362  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.647   0.371  -1.208  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -2.299  -0.027  -1.385  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.803  -0.110  -2.705  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.606   0.163  -3.814  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.933   0.528  -3.632  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.449   0.631  -2.342  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -3.471   1.205   1.050  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.266   0.543   0.164  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.630  -0.631   0.749  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.418   1.283   0.121  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        2.054   0.076   0.578  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        2.645  -0.736   0.732  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.437   0.760  -0.656  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.901   1.109  -0.676  0.00  0.00    +0.007 A 
ATOM     25  S   LIG    1        5.017   0.128  -1.529  0.00  0.00    -0.100 S 
ATOM     26  C   LIG    1        6.333   1.123  -1.080  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        5.936   2.178  -0.289  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.532   2.168  -0.052  0.00  0.00    +0.013 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5