REMARK  Name = BDB042804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.210   0.808   0.595  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.252   1.323  -0.426  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -2.132   0.211  -0.993  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1       -2.647   0.382  -2.159  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1       -3.517  -0.617  -2.784  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1       -3.955  -1.752  -1.891  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1       -3.283  -1.929  -0.597  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.567  -3.042   0.197  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -2.919  -3.179   1.415  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.192  -4.234   2.193  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.989  -2.236   1.845  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -1.673  -1.133   1.044  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1       -4.822  -2.554  -2.232  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1       -2.364  -0.979  -0.166  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -0.778  -0.181   1.520  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -0.159  -0.494   2.264  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.092   2.472   0.128  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.908   3.768  -0.379  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -0.987   3.991  -1.327  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.647   4.849   0.089  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -3.586   4.638   1.086  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -4.302   5.670   1.548  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.789   3.371   1.620  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.043   2.289   1.146  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  27
ATOM     25  N   LIG    1        3.199  -0.607  -0.034  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        2.219  -0.037   0.889  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        1.099   0.339  -0.076  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1        1.052  -0.860  -1.025  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        2.453  -1.473  -0.949  0.00  0.00    +0.085 C 
BRANCH  25  30
ATOM     30  C   LIG    1        4.315  -1.271   0.647  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.382  -1.878  -0.292  0.00  0.00    +0.174 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.593   0.125  -0.751  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1        5.889  -0.986  -1.286  0.00  0.00    -0.382 OA
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   1  27
TORSDOF 5