REMARK  Name = BDB017092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.806  -2.854  -2.254  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.594  -2.233  -1.776  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.481  -1.365  -0.710  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.877  -1.061  -0.660  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.554  -1.721  -1.673  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.645  -2.412  -2.317  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.619  -0.936   0.107  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.423   0.183  -0.251  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1       -3.528   0.515   0.572  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -4.347   1.609   0.239  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.089   2.385  -0.890  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.004   2.079  -1.701  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.788  -0.258   1.714  0.00  0.00    +0.131 A 
ATOM     14  F   LIG    1       -4.831   0.042   2.505  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -2.992  -1.342   2.063  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -2.182   0.994  -1.386  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -1.910  -1.682   1.261  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1        1.554  -0.175   0.287  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1        0.817   0.368   1.286  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        1.440   1.190   2.153  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        2.785   1.502   2.082  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.544   0.938   1.056  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.913   0.085   0.144  0.00  0.00    +0.041 A 
BRANCH  22  24
ATOM     24  C   LIG    1        4.963   1.237   0.941  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1        5.778   0.750  -0.012  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        6.934   1.327   0.345  0.00  0.00    -0.176 N 
ATOM     27  H   LIG    1        7.796   1.176  -0.172  0.00  0.00    +0.214 HD
ATOM     28  N   LIG    1        6.889   2.116   1.423  0.00  0.00    -0.049 NA
ATOM     29  N   LIG    1        5.626   2.068   1.818  0.00  0.00    -0.108 NA
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 3