REMARK  Name = BDB031093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.672   1.657   0.788  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.111   0.570   0.593  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.174   0.404   1.400  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.475   1.291   2.425  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.666   2.407   2.613  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.424   2.601   1.776  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.502  -1.421  -0.866  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -2.599  -0.602  -0.291  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1       -2.593   0.764  -0.598  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.514   1.340  -1.474  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -3.347   2.640  -1.573  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -2.288   2.926  -0.757  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -4.462   0.478  -2.090  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.783   1.794  -0.140  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.460  -0.837  -1.806  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1       -4.813  -3.235  -0.123  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1       -3.585  -2.895  -0.599  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1       -3.412  -3.607  -1.746  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1        1.939  -0.728   1.137  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        1.482  -1.171   0.341  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.374  -0.481   0.875  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        3.632   0.285  -0.422  0.00  0.00    +0.201 C 
ATOM     23  F   LIG    1        4.837   0.919  -0.315  0.00  0.00    -0.242 F 
ATOM     24  C   LIG    1        3.736  -0.793  -1.502  0.00  0.00    +0.119 C 
ATOM     25  N   LIG    1        3.787  -2.112  -0.835  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1        2.865  -2.547  -0.887  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        4.082  -1.809   0.578  0.00  0.00    +0.106 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4