REMARK  Name = BDB060714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.144  -1.504  -0.488  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.847  -2.870  -0.630  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        0.503  -3.174  -0.822  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.879  -4.507  -0.960  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.049  -5.550  -0.917  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.392  -5.258  -0.735  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.453  -2.240  -0.878  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.080  -0.964  -0.755  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -1.780  -3.930  -0.595  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1       -3.091  -3.672  -0.450  0.00  0.00    -0.205 F 
ATOM     11  N   LIG    1       -0.176  -0.573  -0.564  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.474  -1.106  -0.206  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -3.142  -1.728  -0.645  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1       -4.405   1.680   0.740  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1       -3.135   2.001   1.127  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -2.811   2.849   1.580  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -2.235   1.047   0.864  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -2.926   0.082   0.254  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -4.299   0.429   0.174  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.741   3.548  -0.216  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.564   2.586   0.949  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1        2.013   0.063  -0.817  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        1.499   0.859  -0.441  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.265  -0.208  -0.123  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        4.298  -0.801  -1.088  0.00  0.00    +0.033 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.784   1.099   0.472  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        4.059   2.216  -0.340  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.528   3.405   0.220  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        4.722   3.485   1.593  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        5.171   4.626   2.131  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.453   2.399   2.418  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        3.983   1.208   1.860  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6