REMARK  Name = BDB028747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.460   1.519   0.118  0.00  0.00    +0.092 C 
ATOM      2  N   LIG    1       -0.391   0.368  -0.316  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1        0.444  -0.703  -0.942  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1        1.547  -1.199   0.031  0.00  0.00    +0.135 C 
ATOM      5  N   LIG    1        2.359  -0.103   0.598  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        3.621  -0.306   1.164  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        4.151   0.548   1.874  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.619   1.087   1.053  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.437  -0.065   0.504  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -1.291  -0.476   1.833  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.391  -0.913   2.582  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.656  -0.948   2.005  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.004  -1.490   2.925  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.830  -0.552   0.685  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.727  -0.116  -0.053  0.00  0.00    +0.024 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.376  -1.794  -1.623  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1       -0.878  -1.558  -2.917  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.647  -2.521  -3.576  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.931  -3.727  -2.944  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -2.881  -4.913  -3.751  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.456  -3.977  -1.659  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.685  -3.015  -1.000  0.00  0.00    +0.007 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -0.330   2.702   0.714  0.00  0.00    +0.027 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.137   4.436   0.518  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -1.340   3.372  -0.242  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -0.664   4.007  -1.458  0.00  0.00    +0.007 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
BRANCH   6  27
ATOM     27  C   LIG    1        4.314  -1.605   0.841  0.00  0.00    +0.216 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.638  -1.753   1.516  0.00  0.00    +0.314 C 
ATOM     29  O   LIG    1        5.835  -2.247   2.615  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.666  -1.298   0.774  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        7.447  -1.403   1.359  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 7