REMARK  Name = BDB021853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.999   0.299  -0.326  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.028   1.255  -0.406  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.250   0.816   0.055  0.00  0.00    -0.265 N 
ATOM      4  H   LIG    1       -3.471  -0.142  -0.188  0.00  0.00    +0.157 HD
ATOM      5  O   LIG    1       -1.848   2.372  -0.885  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.371   1.649   0.276  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1       -5.641   1.088   0.099  0.00  0.00    +0.150 A 
ATOM      8  F   LIG    1       -5.752  -0.195  -0.281  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1       -6.801   1.831   0.294  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -6.688   3.155   0.690  0.00  0.00    +0.129 A 
ATOM     11  F   LIG    1       -7.797   3.880   0.886  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.445   3.736   0.907  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -4.293   2.977   0.708  0.00  0.00    +0.150 A 
ATOM     14  F   LIG    1       -3.118   3.538   1.027  0.00  0.00    -0.203 F 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        3.240   0.466  -0.012  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.518   1.739   0.040  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        1.045   1.540   0.382  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.349   0.754  -0.739  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        1.256  -0.342  -1.331  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.449  -0.687  -0.439  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.596   0.589  -0.565  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        4.624   0.611  -2.102  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.559  -0.505  -0.040  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.773  -0.946   2.372  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.877  -0.435   1.460  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -1.095  -0.841   0.595  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.914  -2.006   0.080  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.505  -2.883   1.004  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.260  -3.974   0.571  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.427  -4.210  -0.791  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.836  -3.358  -1.720  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.080  -2.266  -1.289  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7