REMARK  Name = BDB027736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535   0.637   0.243  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.003   1.797   0.822  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.373   1.973   0.637  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.917   3.118   1.202  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.240   4.061   1.911  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.077   3.849   2.079  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.137   1.100  -0.039  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.535   0.008  -0.540  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1       -0.734   2.749   1.563  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.225  -0.244  -0.430  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.374  -0.953  -1.271  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        1.938  -2.244  -1.586  0.00  0.00    +0.152 A 
ATOM     13  F   LIG    1        0.729  -2.697  -1.220  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        2.778  -3.102  -2.281  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        4.024  -2.775  -2.690  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        4.445  -1.533  -2.381  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.674  -0.610  -1.689  0.00  0.00    +0.034 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -1.936   0.384   0.352  0.00  0.00    -0.306 N 
ATOM     19  C   LIG    1       -2.577   0.980  -0.833  0.00  0.00    +0.131 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -1.726  -1.519   1.934  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -2.228  -1.091   0.544  0.00  0.00    +0.175 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.727  -1.470   0.448  0.00  0.00    +0.408 C 
ATOM     23  F   LIG    1       -4.222  -1.249  -0.794  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -4.488  -0.770   1.320  0.00  0.00    -0.169 F 
ATOM     25  F   LIG    1       -3.919  -2.786   0.710  0.00  0.00    -0.169 F 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4