REMARK  Name = BDB059710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.200   0.002   0.870  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -3.829  -0.296   1.035  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1       -3.439  -1.184   2.037  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.071  -1.251   1.932  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.466  -1.798   2.523  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.661  -0.440   0.902  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.327  -1.813   2.910  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.678  -1.514   2.739  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.712   0.142   0.358  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.099  -0.630   1.745  0.00  0.00    +0.138 A 
ATOM     11  F   LIG    1       -7.421  -0.401   1.656  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.266  -0.248   0.490  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        0.034   0.733  -0.462  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.352   0.959  -0.885  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.419   0.203  -0.387  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.107  -0.773   0.574  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        0.792  -1.001   1.006  0.00  0.00    +0.013 A 
BRANCH  15  18
ATOM     18  N   LIG    1        3.755   0.394  -0.772  0.00  0.00    -0.327 N 
ATOM     19  C   LIG    1        4.386  -0.805  -1.374  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        5.908  -0.592  -1.556  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        6.256   0.628  -2.312  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1        5.847   0.549  -3.243  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        5.629   1.784  -1.636  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        4.097   1.645  -1.481  0.00  0.00    +0.120 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  28
ATOM     25  N   LIG    1       -6.991   1.154  -0.334  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -7.692   0.718   0.251  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -7.284   1.810  -1.046  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.645   0.947  -0.187  0.00  0.00    +0.246 C 
ATOM     29  O   LIG    1       -4.877   1.547  -0.926  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3