REMARK  Name = BDB062271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.507   0.811  -0.229  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.328  -0.305  -0.151  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -2.905  -1.734  -0.074  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -3.860  -2.647  -0.835  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -5.121  -2.854  -0.149  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -5.440  -3.809  -0.036  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.128  -1.955   0.091  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -5.950  -0.491  -0.077  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -7.112   0.303  -0.110  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -7.024   1.682  -0.220  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -8.149   2.409  -0.253  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.798   2.334  -0.291  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -4.648   1.540  -0.250  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -7.217  -2.395   0.457  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.688   0.146  -0.152  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -3.326   1.912  -0.283  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -2.997   2.865  -0.352  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        1.746   1.214  -0.350  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        1.058   0.610  -1.411  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -0.332   0.476  -1.369  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.056   0.943  -0.267  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.375   1.549   0.792  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.015   1.684   0.751  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.254   1.369  -0.395  0.00  0.00    +0.119 C 
BRANCH  24  31
ATOM     25  C   LIG    1        7.166  -0.715   1.096  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1        6.371   0.117   0.083  0.00  0.00    +0.065 C 
ATOM     27  N   LIG    1        5.740  -0.768  -0.915  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        5.408  -0.178  -1.677  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.573  -1.473  -0.354  0.00  0.00    +0.096 C 
ATOM     30  C   LIG    1        3.803  -0.726   0.761  0.00  0.00    +0.100 C 
ATOM     31  N   LIG    1        3.941   0.740   0.744  0.00  0.00    -0.295 NA
ATOM     32  C   LIG    1        5.377   1.097   0.784  0.00  0.00    +0.103 C 
ENDBRANCH  24  31
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 3