REMARK  Name = BDB031556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777  -1.974  -1.792  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.285  -0.901  -0.839  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1       -1.167  -1.055  -0.544  0.00  0.00    -0.288 NA
ATOM      4  C   LIG    1       -0.901  -0.629   0.853  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        0.559  -1.125   0.682  0.00  0.00    +0.204 C 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.950  -0.045  -1.265  0.00  0.00    +0.121 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.415  -0.120  -0.916  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.060   0.916  -0.231  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -5.412   0.788   0.062  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -6.080  -0.367  -0.338  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1       -7.499  -0.501  -0.033  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -8.159   0.470   0.625  0.00  0.00    +0.084 A 
ATOM     13  C   LIG    1       -7.444   1.707   1.053  0.00  0.00    +0.258 A 
ATOM     14  O   LIG    1       -7.999   2.620   1.653  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -5.493  -1.385  -0.998  0.00  0.00    -0.253 NA
ATOM     16  N   LIG    1       -6.108   1.791   0.744  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -5.640   2.636   1.043  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -4.173  -1.239  -1.266  0.00  0.00    +0.116 A 
BRANCH  12  19
ATOM     19  C   LIG    1       -9.603   0.401   0.971  0.00  0.00    +0.377 C 
ATOM     20  F   LIG    1       -9.812   0.466   2.312  0.00  0.00    -0.204 F 
ATOM     21  F   LIG    1      -10.313   1.412   0.404  0.00  0.00    -0.204 F 
ENDBRANCH  12  19
ENDBRANCH   6   7
ENDBRANCH   3   6
BRANCH   5  22
ATOM     22  O   LIG    1        1.561  -0.287   1.306  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.877  -0.538   1.032  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        3.756   0.534   1.119  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        5.088   0.453   0.886  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        5.581  -0.768   0.558  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        4.774  -1.902   0.474  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        3.404  -1.783   0.718  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.053  -0.922   0.306  0.00  0.00    +0.263 C 
ATOM     30  N   LIG    1        7.891   0.167   0.167  0.00  0.00    -0.307 N 
ATOM     31  H   LIG    1        8.857  -0.093   0.011  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1        7.539  -2.052   0.211  0.00  0.00    -0.269 OA
BRANCH  30  33
ATOM     33  C   LIG    1        7.555   1.550   0.152  0.00  0.00    +0.073 C 
ATOM     34  C   LIG    1        6.998   2.200  -1.084  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1        8.392   2.520  -0.639  0.00  0.00    +0.024 C 
ENDBRANCH  30  33
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 7