REMARK  Name = BDB057463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.873   1.004   0.289  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -1.485  -0.067  -0.205  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.707  -1.113  -0.447  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.599  -1.116  -0.202  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1        1.131  -0.012   0.309  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1        0.427   1.085   0.547  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.273  -2.238  -1.000  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1       -0.635  -3.543  -0.781  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -0.820  -3.956   0.705  0.00  0.00    +0.182 C 
ATOM     10  O   LIG    1       -2.214  -4.060   1.065  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -2.956  -2.884   0.678  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -1.507  -4.434  -1.689  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.882  -3.741  -1.707  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -2.705  -2.502  -0.807  0.00  0.00    +0.102 C 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.465  -0.024   0.640  0.00  0.00    -0.289 N 
ATOM     16  C   LIG    1        3.383  -0.923  -0.068  0.00  0.00    +0.102 C 
ATOM     17  C   LIG    1        3.595  -0.387  -1.510  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1        4.159   0.942  -1.513  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1        3.428   1.837  -0.647  0.00  0.00    +0.182 C 
ATOM     20  C   LIG    1        4.665  -0.725   0.765  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        4.548   0.706   1.324  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        3.211   1.234   0.767  0.00  0.00    +0.102 C 
ENDBRANCH   5  15
BRANCH   1  26
ATOM     23  C   LIG    1       -3.430   4.250   1.262  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -3.852   2.993   1.431  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -2.991   1.999   1.095  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1       -1.702   2.177   0.586  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -1.297   3.513   0.399  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -2.175   4.551   0.763  0.00  0.00    +0.053 A 
BRANCH  23  29
ATOM     29  N   LIG    1       -4.304   5.260   1.645  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -5.170   4.812   1.937  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -4.458   5.932   0.903  0.00  0.00    +0.144 HD
ENDBRANCH  23  29
BRANCH  27  32
ATOM     32  C   LIG    1        0.045   3.879  -0.177  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        0.061   5.137  -0.712  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.044   3.874   0.748  0.00  0.00    -0.204 F 
ENDBRANCH  27  32
ENDBRANCH   1  26
TORSDOF 5