REMARK  Name = BDB026722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911  -1.305  -3.239  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.967  -0.861  -2.226  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.455   0.058  -1.184  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.266   0.765  -0.471  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.636  -0.209   0.068  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.174  -1.075  -0.933  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.224  -1.560  -2.061  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.550  -2.491  -2.799  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.447  -0.624  -0.243  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.126  -1.792   0.469  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.054  -2.382   1.331  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.313  -1.811   1.493  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.453  -2.537   2.556  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.653  -0.654   0.798  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.726  -0.064  -0.065  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.690   1.752   0.603  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.692   1.405   1.964  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.111   2.318   2.934  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.532   3.588   2.551  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -2.051   4.714   3.744  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.536   3.954   1.207  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.118   3.040   0.237  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.431  -0.459  -1.579  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.621  -0.454  -0.646  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        3.755   0.538   0.336  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.848   0.531   1.203  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.815  -0.467   1.100  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.689  -1.461   0.131  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.596  -1.456  -0.737  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4