REMARK  Name = BDB011185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.122   2.788   0.493  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.823   2.396   0.106  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.023   3.284  -0.520  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.251   2.948  -0.789  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.760   1.695  -0.532  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.071   0.705  -0.036  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.477  -0.620  -0.051  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.883  -0.811   0.001  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.351  -1.952  -0.042  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.662   0.350   0.017  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        2.180   1.417  -0.729  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.799   2.132  -1.510  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.371   1.083   0.409  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.212   0.270   1.204  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.485   0.677   1.594  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.949   1.928   1.222  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        4.056   0.307   0.437  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.936   1.385   0.225  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        6.263   1.348   0.672  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        7.303   2.688   0.373  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.751   0.248   1.364  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.898  -0.815   1.625  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.569  -0.776   1.178  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -0.299  -1.805  -0.501  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -0.568  -2.817   0.631  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -1.855  -3.614   0.423  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.005  -4.057  -1.028  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -2.026  -2.885  -2.012  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -1.511  -1.568  -1.420  0.00  0.00    +0.025 C 
ENDBRANCH   7  24
BRANCH   1  31
ATOM     30  C   LIG    1       -4.798   4.507   0.463  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.494   4.063   0.122  0.00  0.00    -0.493 OA
ENDBRANCH   1  31
TORSDOF 3