REMARK  Name = BDB021861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.434  -0.189  -0.811  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.080   1.032  -0.601  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.456   0.954  -0.610  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.856   0.046  -0.413  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.465   2.074  -0.400  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.377   2.024  -0.553  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -5.721   1.697  -0.320  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1       -6.068   0.411  -0.150  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -6.713   2.673  -0.258  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -6.364   4.008  -0.438  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.034   4.340  -0.679  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -4.706   5.625  -0.861  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.039   3.364  -0.741  0.00  0.00    +0.064 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.798   0.589  -0.141  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.028  -0.130   0.888  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.517   0.092   0.765  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.030  -0.301  -0.630  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.830   0.454  -1.688  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.329   0.214  -1.492  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.279   0.421  -0.020  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.982   1.548  -0.801  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.796   0.412   1.447  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.920  -0.946   1.016  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.315   0.300   1.642  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       -2.088  -1.337  -1.449  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.425  -2.467  -0.502  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.594  -3.760  -1.024  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.938  -4.828  -0.193  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.129  -4.617   1.170  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.978  -3.339   1.702  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.633  -2.270   0.872  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7