REMARK  Name = BDB026751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.364  -2.427  -2.226  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.573  -1.532  -1.390  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.873  -1.445   0.044  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -0.129  -0.270   0.735  0.00  0.00    +0.229 C 
ATOM      5  O   LIG    1        1.285  -0.387   0.520  0.00  0.00    -0.477 OA
ATOM      6  C   LIG    1        1.663  -0.641  -0.788  0.00  0.00    +0.184 C 
ATOM      7  C   LIG    1        2.910  -0.348  -1.204  0.00  0.00    +0.060 C 
ATOM      8  C   LIG    1        0.738  -1.285  -1.803  0.00  0.00    +0.282 C 
ATOM      9  O   LIG    1        1.139  -1.564  -2.932  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -2.350  -1.497   0.421  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1       -2.788  -2.433   1.375  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -4.131  -2.489   1.759  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.050  -1.607   1.197  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -6.701  -1.675   1.672  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -4.638  -0.672   0.253  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -3.295  -0.618  -0.132  0.00  0.00    +0.007 A 
ENDBRANCH   3  10
BRANCH   4  17
ATOM     17  C   LIG    1       -0.563   1.172   0.491  0.00  0.00    -0.005 A 
ATOM     18  C   LIG    1       -0.796   2.008   1.598  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -1.176   3.341   1.429  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.322   3.867   0.150  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.085   3.061  -0.959  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.705   1.726  -0.791  0.00  0.00    +0.007 A 
ENDBRANCH   4  17
BRANCH   7  23
ATOM     23  C   LIG    1        3.961   0.276  -0.389  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1        3.738   1.365   0.452  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        4.701   1.978   1.185  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        5.953   1.489   1.067  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.287   0.423   0.249  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.276  -0.185  -0.492  0.00  0.00    +0.011 A 
ENDBRANCH   7  23
TORSDOF 3