REMARK  Name = BDB004702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.676   0.702   1.056  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.645  -0.188   0.689  0.00  0.00    +0.085 A 
ATOM      3  C   LIG    1       -1.857   0.128  -0.454  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.781  -0.746  -0.815  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.638  -1.933  -0.100  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.452  -2.167   0.985  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.174   1.296  -1.194  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.204   2.153  -0.821  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -2.414  -1.322   1.394  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1       -3.948   1.859   0.307  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.280  -0.549   3.086  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.557  -1.221   2.837  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.917  -0.753   3.842  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.559   0.488   2.247  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -5.515   1.222   2.480  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.012  -0.469  -1.947  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1        0.082   0.532  -2.106  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.315  -1.091  -2.172  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.401  -0.331  -1.445  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.822  -0.724  -0.165  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        3.817  -0.009   0.523  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        4.380   1.124  -0.083  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.966   1.527  -1.352  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.982   0.805  -2.027  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.248  -0.425   1.908  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        5.580  -0.243   2.127  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        3.608   0.274   2.884  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.007  -1.741   2.171  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5