REMARK  Name = BDB002711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.080   0.513   0.966  0.00  0.00    -0.309 N 
ATOM      2  H   LIG    1       -0.315   0.485   1.901  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.706   0.063  -0.070  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1       -0.319  -0.012  -1.232  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.045  -0.329   0.343  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1       -2.482  -0.287   1.648  0.00  0.00    -0.125 NA
ATOM      7  N   LIG    1       -3.737  -0.716   1.679  0.00  0.00    -0.065 NA
ATOM      8  N   LIG    1       -4.098  -1.006   0.415  0.00  0.00    -0.247 N 
ATOM      9  C   LIG    1       -3.067  -0.802  -0.453  0.00  0.00    +0.143 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -5.417  -1.536   0.121  0.00  0.00    +0.183 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.354  -0.457  -0.344  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -7.176   0.203   0.573  0.00  0.00    +0.128 A 
ATOM     13  F   LIG    1       -7.153  -0.152   1.865  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -8.038   1.220   0.173  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -8.086   1.597  -1.167  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -7.272   0.952  -2.099  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.409  -0.069  -1.692  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1        1.466   0.894   0.782  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.400  -0.328   0.684  0.00  0.00    +0.103 C 
BRANCH  19  24
ATOM     20  C   LIG    1        7.980   0.088  -0.479  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1        6.554  -0.230  -0.479  0.00  0.00    -0.303 NA
ATOM     22  C   LIG    1        6.168  -0.906   0.773  0.00  0.00    +0.099 C 
ATOM     23  C   LIG    1        4.652  -1.199   0.830  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        3.832   0.024   0.681  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1        4.226   0.706  -0.573  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1        5.745   0.993  -0.638  0.00  0.00    +0.099 C 
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6