REMARK  Name = BDB031549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.083   1.088  -2.172  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1        6.870  -0.583   1.707  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1        5.622  -0.424   0.899  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        5.291  -1.541  -0.044  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1        6.006  -2.533  -0.146  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        4.150  -1.407  -0.793  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1        3.938  -2.168  -1.423  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.305  -0.294  -0.707  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.610   0.745   0.171  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1        2.850   1.851   0.317  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        1.735   1.916  -0.448  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1        1.340   0.931  -1.354  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.158  -0.200  -1.482  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.815   0.647   0.986  0.00  0.00    +0.038 A 
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  N   LIG    1       -0.856  -0.024  -1.966  0.00  0.00    -0.288 NA
ATOM     16  C   LIG    1       -1.654   0.159  -0.719  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -1.223  -0.801   0.377  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -2.920  -0.253  -1.533  0.00  0.00    +0.204 C 
ATOM     19  C   LIG    1       -2.089   0.206  -2.758  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -4.133   0.504  -1.306  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.810   0.304  -0.135  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -5.528   1.380   0.374  0.00  0.00    +0.159 A 
ATOM     23  N   LIG    1       -6.257   1.341   1.514  0.00  0.00    -0.224 NA
ATOM     24  C   LIG    1       -6.277   0.161   2.165  0.00  0.00    +0.213 A 
ATOM     25  F   LIG    1       -6.991   0.088   3.297  0.00  0.00    -0.184 F 
ATOM     26  C   LIG    1       -5.612  -0.973   1.731  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -4.867  -0.901   0.554  0.00  0.00    +0.051 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  15
TORSDOF 4