REMARK  Name = BDB021773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.343  -0.377  -0.722  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.946   0.878  -0.614  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.321   0.857  -0.679  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.769  -0.022  -0.455  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.288   1.901  -0.455  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.197   1.964  -0.723  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -5.561   1.707  -0.542  0.00  0.00    +0.179 A 
ATOM      8  F   LIG    1       -5.972   0.446  -0.326  0.00  0.00    -0.201 F 
ATOM      9  C   LIG    1       -6.494   2.738  -0.582  0.00  0.00    +0.160 A 
ATOM     10  F   LIG    1       -7.796   2.475  -0.403  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1       -6.087   4.047  -0.807  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.733   4.318  -0.999  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.792   3.281  -0.960  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.646   0.880   0.328  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.020  -0.196   1.103  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.495  -0.196   0.993  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.105  -0.525  -0.453  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.004   0.190  -1.473  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.857   1.295  -0.846  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.099   0.739   0.073  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.707   2.135  -0.173  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.871   0.046   1.232  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.774  -0.895  -0.195  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.388  -0.104   1.045  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -2.014  -1.543  -1.306  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.406  -2.603  -0.300  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.533  -3.934  -0.729  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.929  -4.937   0.158  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.212  -4.622   1.484  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.103  -3.306   1.923  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.708  -2.301   1.037  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7