REMARK  Name = BDB006736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.842  -0.196   1.234  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.719   0.681   1.635  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.357   0.554   1.345  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.348  -0.284   0.667  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.083   0.471   0.986  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.360   1.643   1.755  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.397   2.494   2.189  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.763   1.620   1.941  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1       -2.717   2.347   2.545  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -2.634   3.206   3.081  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.942   1.787   2.377  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.188   0.033   0.614  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.314   0.737   0.855  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        3.550   0.244   0.452  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        3.720  -0.961  -0.202  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        4.996  -1.152  -0.452  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.688  -0.069   0.038  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        2.558  -1.748  -0.478  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        2.641  -3.077  -1.185  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.821   0.764   0.578  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        5.130   2.059   1.224  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        1.359  -1.257  -0.077  0.00  0.00    +0.032 A 
ENDBRANCH   5  12
BRANCH   4  23
ATOM     23  C   LIG    1       -1.744  -0.306  -0.797  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -2.409  -1.435  -1.311  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.792  -1.491  -2.653  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.519  -0.418  -3.497  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -2.993  -0.488  -5.149  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -1.867   0.711  -3.010  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.483   0.768  -1.667  0.00  0.00    +0.007 A 
ENDBRANCH   4  23
TORSDOF 2