REMARK  Name = BDB002777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.864   0.894  -1.180  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.599   0.575  -0.034  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.975   0.400  -0.077  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -3.660   0.558  -1.294  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -5.064   0.364  -1.257  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -5.728   0.048  -0.060  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -7.217  -0.193  -0.005  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -7.794  -0.230   1.411  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -6.912  -1.065   2.327  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -5.527  -0.435   2.421  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -4.935  -0.103   1.075  0.00  0.00    +0.047 A 
ATOM     12 CL   LIG    1       -5.992   0.506  -2.726  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -2.912   0.897  -2.451  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1       -3.593   0.081   1.067  0.00  0.00    -0.251 NA
ATOM     15  C   LIG    1       -1.529   1.067  -2.392  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        1.156   1.791  -1.987  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        0.612   1.083  -1.147  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        1.299   0.401  -0.165  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.830  -0.320   0.366  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.748   0.441  -0.089  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.389  -0.562  -1.042  0.00  0.00    +0.034 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.919  -0.479  -1.108  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  N   LIG    1        5.546  -0.834   0.179  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        6.816  -1.556  -0.017  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        7.855  -0.486  -0.302  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        7.344   0.744   0.431  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        5.958   0.363   0.937  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 5