REMARK  Name = BDB026788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.206  -0.802   0.168  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.683   0.520   0.633  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        0.843   0.461   1.036  0.00  0.00    +0.132 C 
ATOM      4  N   LIG    1        1.086  -0.677   1.914  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.094  -1.702   2.104  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        0.928  -2.890   2.545  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.057  -2.239   3.347  0.00  0.00    +0.098 C 
ATOM      8  C   LIG    1        2.209  -0.886   2.688  0.00  0.00    +0.217 C 
ATOM      9  O   LIG    1        3.140  -0.117   2.847  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -0.824  -1.952   0.894  0.00  0.00    +0.237 C 
ATOM     11  O   LIG    1       -1.298  -3.070   0.697  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.986   1.734  -0.242  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -1.553   2.882   0.341  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.815   4.020  -0.427  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.509   4.026  -1.785  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.831   5.428  -2.728  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.946   2.903  -2.383  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.685   1.765  -1.616  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   3  19
ATOM     19  C   LIG    1        1.825   0.423  -0.136  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1        1.929  -0.685  -0.993  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.832  -0.675  -2.057  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        2.929  -2.038  -3.103  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.650   0.428  -2.283  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.568   1.530  -1.435  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.665   1.527  -0.369  0.00  0.00    +0.005 A 
ENDBRANCH   3  19
BRANCH   1  27
ATOM     26  C   LIG    1       -2.261  -1.835  -1.853  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -2.426  -0.879  -0.669  0.00  0.00    +0.071 C 
ATOM     28  C   LIG    1       -3.678  -1.202   0.151  0.00  0.00    +0.028 C 
ENDBRANCH   1  27
TORSDOF 3