REMARK  Name = BDB053123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.992   1.875  -2.126  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.948   1.681  -1.535  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.209   0.515  -1.466  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.996   0.661  -0.670  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        0.937   2.111  -0.260  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        1.826   2.867   0.488  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.517   4.212   0.722  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.339   4.784   0.208  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.550   4.021  -0.551  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.223   2.696  -0.766  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.083  -0.293   0.515  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.174  -1.170   0.669  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.242  -2.052   1.752  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.220  -2.070   2.697  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        1.298  -3.168   4.019  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.135  -1.208   2.574  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.069  -0.324   1.494  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        2.085   0.499  -1.563  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        1.950   1.169  -2.253  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -0.574  -0.708  -2.158  0.00  0.00    +0.148 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.383  -1.655  -1.317  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1       -2.688  -1.349  -0.941  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1       -3.463  -2.146  -0.169  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -2.916  -3.307   0.246  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -1.632  -3.711  -0.077  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.858  -2.872  -0.874  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4