REMARK  Name = BDB062270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -8.565  -0.320  -1.085  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -7.434  -0.261  -0.603  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -6.444  -1.319  -0.927  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -5.048  -1.174  -0.741  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -4.209  -2.219  -1.138  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -4.686  -3.405  -1.704  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.061  -3.521  -1.874  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1       -6.555  -4.642  -2.417  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -2.918  -1.833  -0.871  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -2.098  -2.385  -1.079  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -2.886  -0.577  -0.315  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.202  -0.149  -0.205  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1       -4.686   1.132   0.391  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -6.013   0.953   1.121  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -6.931  -2.507  -1.504  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -7.140   0.793   0.222  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -7.950   1.381   0.379  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1       -1.626   0.072   0.038  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1       -0.698  -0.575   0.861  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.512   0.044   1.187  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.819   1.320   0.691  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -0.114   1.967  -0.129  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.325   1.347  -0.453  0.00  0.00    +0.010 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.128   1.989   1.054  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.307   1.201   0.676  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1        4.539   1.762   1.240  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1        5.783   0.878   0.946  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1        5.698   0.062  -0.285  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1        4.879   0.753  -1.291  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        3.438   1.049  -0.789  0.00  0.00    +0.100 C 
BRANCH  28  31
ATOM     31  C   LIG    1        7.025  -0.297  -0.819  0.00  0.00    +0.112 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.768  -1.266   0.114  0.00  0.00    +0.171 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.925  -2.373   0.429  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1        6.021  -1.995   0.464  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  11  18
TORSDOF 6