REMARK  Name = BDB064218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.984   0.650  -0.918  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.632   0.775  -2.257  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.361   1.592  -2.637  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.298   0.033  -3.227  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.337  -0.825  -2.854  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.731  -0.935  -1.508  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.033  -0.194  -0.539  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        3.667   0.616   1.412  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        3.094   1.816   1.828  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        3.684   2.598   2.576  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        1.700   2.169   1.278  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.020   1.195   0.425  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1       -0.310   1.455   0.113  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.985   2.311   0.680  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.874   0.232  -0.258  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.868  -0.386   0.720  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        4.952   0.211   1.976  0.00  0.00    +0.108 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.139   0.878   1.276  0.00  0.00    +0.019 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.333   0.471  -0.190  0.00  0.00    +0.001 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.943  -1.465   0.235  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        6.655  -1.006  -0.430  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -3.849  -1.887  -1.128  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.733  -1.395  -0.071  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.730  -0.407  -0.341  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.565   0.030   0.694  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.558   0.996   0.478  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.727   1.542  -0.790  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.907   1.122  -1.833  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.397  -0.539   2.039  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -7.114  -0.214   2.978  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -5.396  -1.460   2.178  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -5.265  -1.850   3.099  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -5.918   0.155  -1.612  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.559  -1.918   1.202  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.702  -2.752   1.490  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7