REMARK  Name = BDB061781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366  -2.352  -0.102  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.194  -3.171  -1.075  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.576  -3.871  -1.920  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.577  -3.250  -1.210  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.406  -2.508  -0.363  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.857  -1.685   0.633  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        0.460  -1.622   0.761  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -4.335   0.451   0.481  0.00  0.00    +0.073 C 
ATOM      9  N   LIG    1       -3.933   1.519  -0.476  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1       -3.595   2.757   0.229  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -2.825   1.093  -1.357  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -1.813   0.133  -0.708  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -2.459  -1.064  -0.154  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -1.829  -2.287   0.042  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1       -2.420  -3.314   0.366  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -3.907  -0.975   0.043  0.00  0.00    +0.127 C 
BRANCH   8  18
ATOM     17  C   LIG    1       -6.739   0.325  -0.461  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.851   0.516   0.762  0.00  0.00    +0.017 C 
ENDBRANCH   8  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1        2.736  -0.852   1.546  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.290   0.323   0.876  0.00  0.00    -0.289 N 
ATOM     21  C   LIG    1        4.620   0.341   0.350  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        5.079   1.483  -0.319  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        6.372   1.552  -0.859  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        7.234   0.469  -0.732  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.803  -0.673  -0.067  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.186   2.643  -0.457  0.00  0.00    +0.262 A 
ATOM     27  O   LIG    1        4.527   3.660  -1.048  0.00  0.00    -0.267 OA
ATOM     28  N   LIG    1        2.953   2.519   0.114  0.00  0.00    -0.274 N 
ATOM     29  H   LIG    1        2.332   3.308   0.025  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1        5.510  -0.737   0.471  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1        2.450   1.424   0.756  0.00  0.00    +0.330 A 
ATOM     32  O   LIG    1        1.298   1.464   1.187  0.00  0.00    -0.246 OA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4