REMARK  Name = BDB063319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265  -2.495  -0.549  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.226  -2.461   0.750  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.666  -2.644   1.004  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.746  -2.990   2.495  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        0.510  -2.329   3.083  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        0.748  -0.999   3.249  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1       -0.536  -2.493   1.992  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1        0.515  -2.696  -1.488  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.807  -2.206  -0.780  0.00  0.00    +0.083 C 
ATOM     10  C   LIG    1       -2.817  -3.167  -0.071  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.655  -3.190  -1.361  0.00  0.00    +0.251 C 
ATOM     12  F   LIG    1       -4.652  -2.279  -1.412  0.00  0.00    -0.206 F 
ATOM     13  F   LIG    1       -4.203  -4.384  -1.673  0.00  0.00    -0.206 F 
ATOM     14  C   LIG    1       -2.373  -2.822  -2.123  0.00  0.00    +0.096 C 
BRANCH   9  18
ATOM     15  C   LIG    1       -2.241   2.250  -0.548  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -1.414   1.660  -1.495  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.298   0.266  -1.551  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.995  -0.596  -0.673  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -2.828   0.037   0.266  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.944   1.431   0.332  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -1.873   4.452  -1.355  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.433   3.591  -0.370  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   9  18
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.528  -1.393   0.698  0.00  0.00    +0.239 C 
ATOM     24  N   LIG    1        1.816  -0.211   0.751  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        0.834  -0.286   0.975  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        3.744  -1.512   0.569  0.00  0.00    -0.273 OA
BRANCH  24  27
ATOM     27  C   LIG    1        2.337   1.078   0.586  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        3.619   1.250   0.233  0.00  0.00    -0.229 NA
ATOM     29  C   LIG    1        4.025   2.531   0.096  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        3.194   3.622   0.298  0.00  0.00    +0.084 A 
ATOM     31  N   LIG    1        3.980   4.717   0.068  0.00  0.00    -0.275 N 
ATOM     32  H   LIG    1        3.715   5.694   0.127  0.00  0.00    +0.189 HD
ATOM     33  N   LIG    1        5.249   4.424  -0.277  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        1.863   3.461   0.662  0.00  0.00    +0.032 A 
ATOM     35  C   LIG    1        5.271   3.085  -0.255  0.00  0.00    +0.162 A 
ATOM     36  C   LIG    1        1.446   2.135   0.803  0.00  0.00    +0.046 A 
ENDBRANCH  24  27
ENDBRANCH   3  23
TORSDOF 5