REMARK  Name = BDB027734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.558   0.866   0.215  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.139   2.208   0.219  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.203   2.418  -0.097  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.627   3.739  -0.106  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.862   4.828   0.168  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.422   4.588   0.484  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.049   1.419  -0.382  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.566   0.167  -0.327  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1        0.964   3.317   0.523  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.292  -0.135  -0.033  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.494  -0.920  -0.670  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -2.280  -2.247  -0.290  0.00  0.00    +0.152 A 
ATOM     13  F   LIG    1       -1.226  -2.614   0.450  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1       -3.195  -3.223  -0.659  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1       -4.316  -2.982  -1.375  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1       -4.525  -1.701  -1.735  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -3.663  -0.661  -1.413  0.00  0.00    +0.034 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        1.906   0.575   0.485  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1        2.466   1.098  -0.190  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1        1.743  -1.590   1.739  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        2.392  -0.843   0.564  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        3.901  -0.705   0.904  0.00  0.00    +0.040 C 
BRANCH  21  23
ATOM     23  C   LIG    1        2.302  -1.661  -0.760  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1        1.059  -2.019  -1.131  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1        3.022  -2.810  -0.665  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1        2.842  -0.950  -1.785  0.00  0.00    -0.168 F 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4