REMARK  Name = BDB051261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.104  -2.432  -0.912  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.135  -1.747  -0.605  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.303  -0.424   0.070  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.185   0.349   0.416  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.328   1.587   1.047  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.611   2.055   1.335  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.733   1.293   0.996  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.925  -0.177   0.099  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.766  -1.390  -0.520  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.583  -1.575  -0.668  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.187  -0.410  -0.104  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.246   0.433   0.360  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.582   0.055   0.364  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.845  -2.168  -0.870  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.728  -3.064  -1.327  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.617  -0.087   0.002  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.028   1.119   0.594  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        4.383   1.431   0.697  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1        4.866   2.914   1.427  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.351   0.555   0.215  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.960  -0.645  -0.375  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.602  -0.963  -0.481  0.00  0.00    +0.010 A 
ENDBRANCH  11  16
TORSDOF 1