REMARK  Name = BDB004456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.034  -1.372  -0.287  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.932  -1.202  -1.150  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.864  -0.430  -0.725  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.384  -0.119  -1.429  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        1.136   0.677  -0.585  0.00  0.00    -0.257 N 
ATOM      6  C   LIG    1        0.463   0.948   0.671  0.00  0.00    +0.189 C 
ATOM      7  O   LIG    1        0.667  -0.511  -2.544  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.828   0.190   0.518  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -1.889   0.036   1.390  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.985  -0.741   0.982  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.262   2.434   0.947  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.665   3.011   2.165  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.476   4.374   2.414  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.123   5.178   1.448  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.355   6.854   1.755  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.535   4.632   0.237  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.345   3.269  -0.012  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  19
ATOM     18  C   LIG    1       -5.367  -2.319   0.306  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.234  -2.226  -0.740  0.00  0.00    -0.013 C 
ATOM     20  C   LIG    1       -4.846  -1.621  -2.022  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.763  -3.667  -1.033  0.00  0.00    +0.015 C 
ENDBRANCH   1  19
BRANCH   6  22
ATOM     22  O   LIG    1        1.208   0.314   1.693  0.00  0.00    -0.364 OA
ATOM     23  H   LIG    1        1.630  -0.439   1.247  0.00  0.00    +0.213 HD
ENDBRANCH   6  22
BRANCH   5  24
ATOM     24  C   LIG    1        2.441   1.207  -0.937  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.568   0.346  -0.418  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.872  -0.874  -1.043  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.901  -1.685  -0.560  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        5.632  -1.276   0.561  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        5.337  -0.064   1.200  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        4.306   0.741   0.708  0.00  0.00    +0.007 A 
BRANCH  28  31
ATOM     31  N   LIG    1        6.714  -2.124   1.075  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1        6.931  -3.197   0.495  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        7.347  -1.718   2.061  0.00  0.00    -0.126 OA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6