REMARK  Name = BDB060305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.124  -2.724  -0.523  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.185  -1.707  -0.387  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        1.218  -1.805  -0.341  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        1.698  -2.942  -0.329  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -0.823  -0.523  -0.227  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -2.120  -0.869  -0.269  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -2.329  -2.223  -0.439  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.165  -0.654  -0.277  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        1.875   0.600  -0.824  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.812   1.638  -0.749  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.056   1.440  -0.132  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        4.354   0.174   0.392  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.418  -0.863   0.319  0.00  0.00    +0.014 A 
BRANCH  11  14
ATOM     14  C   LIG    1        5.072   2.555  -0.073  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        5.900   2.556  -1.154  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        4.508   3.794  -0.032  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        5.883   2.480   1.019  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -3.236   0.082  -0.149  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1       -2.924   1.400  -0.014  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1       -3.950   2.271   0.096  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -5.284   1.900   0.076  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.588   0.552  -0.065  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.553  -0.373  -0.180  0.00  0.00    +0.031 A 
ENDBRANCH   6  18
BRANCH   1  24
ATOM     24  N   LIG    1       -0.814  -4.021  -0.720  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1       -1.530  -4.711  -0.519  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        0.139  -4.333  -0.520  0.00  0.00    +0.145 HD
ENDBRANCH   1  24
TORSDOF 4