REMARK  Name = BDB055872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.841   1.970   0.894  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1       -2.138   0.516   1.302  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1       -3.128   0.260   1.989  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.206  -0.455   0.935  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.181  -0.167  -0.097  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        0.177   1.349  -0.199  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -1.018   2.139  -0.257  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.096  -0.977   0.126  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        1.661  -1.706  -0.933  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        2.846  -2.423  -0.750  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.475  -2.416   0.492  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        4.934  -3.300   0.716  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        2.932  -1.696   1.553  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.749  -0.977   1.372  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        0.987   1.680  -1.444  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        2.375   1.876  -1.351  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.127   2.144  -2.495  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.828   2.370  -2.362  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.514   2.225  -3.743  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        1.137   2.036  -3.849  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.379   1.764  -2.708  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.253   2.711   2.093  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.360   3.771   2.691  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -2.349   3.170   3.009  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.095   2.880   4.299  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -2.890   3.201   4.776  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -1.587  -1.849   1.180  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.468  -2.370   0.082  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -2.719  -3.853  -0.033  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.905  -3.149  -1.081  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7