REMARK  Name = BDB057057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.499  -0.691  -0.549  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.824  -0.221  -0.455  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.954   1.130  -0.212  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.142   1.699  -0.369  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.781  -0.981  -0.589  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.958   1.728  -0.561  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.264   0.317  -0.329  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        2.002  -0.483   0.034  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.710   0.175  -0.487  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.993   0.817  -1.849  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.077   1.894  -1.732  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.151   2.580  -0.710  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.278   1.869   0.513  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        5.007   2.706   0.560  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -3.140   1.848   0.058  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.042   3.246   0.106  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -4.165   4.047   0.382  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -5.401   3.427   0.603  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -5.505   2.038   0.567  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.379   1.254   0.300  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.043   5.549   0.401  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -4.962   6.156   1.202  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -2.827   5.978   0.842  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.204   6.096  -0.836  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.339  -2.101  -0.943  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.140  -3.064   0.252  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -1.422  -3.219   1.093  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -1.382  -4.484   1.942  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -1.319  -5.741   1.073  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -0.674  -5.502  -0.293  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        0.406  -4.429  -0.226  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7