REMARK  Name = BDB057055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.253  -0.208   0.426  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.067  -0.903  -0.478  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.414  -0.643  -0.341  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.638   0.226   0.115  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.596  -1.658  -1.325  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.896  -0.706  -0.365  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -3.068  -1.913  -0.277  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.816  -1.631   0.558  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.216  -0.247   0.261  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.692   0.295  -1.091  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.225   0.351  -1.144  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.236  -1.019  -0.887  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -7.601  -0.220  -1.245  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -6.202   0.169  -0.790  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        3.485  -1.290  -0.990  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.753  -0.706  -0.874  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        5.883  -1.292  -1.473  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.725  -2.476  -2.203  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.468  -3.068  -2.314  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.355  -2.480  -1.707  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        7.231  -0.628  -1.356  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        8.275  -1.479  -1.564  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        7.442  -0.077  -0.127  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        7.389   0.386  -2.249  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.747   0.437   1.650  0.00  0.00    +0.110 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.885   1.951   1.467  0.00  0.00    +0.022 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.556   2.651   2.661  0.00  0.00    -0.016 C 
ATOM     28  C   LIG    1        0.737   2.521   3.946  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        1.779   4.130   2.338  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8