REMARK  Name = BDB006609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.706   2.038  -2.130  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.563   0.784  -1.355  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.397   0.173  -0.879  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.072   0.274  -0.832  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.426  -0.972  -0.059  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.748  -1.704   0.306  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.855  -2.751   0.919  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.816  -0.947  -0.229  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.156  -0.981  -0.302  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.650   0.067  -1.005  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.750  -1.350   0.190  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.802  -0.662  -0.299  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.121  -1.023  -0.063  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.177  -0.202  -0.640  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.471  -2.137   0.703  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -5.631  -2.479   0.917  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.313  -2.903   1.260  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -3.644  -4.283   2.237  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.055  -2.515   1.007  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.377   1.584  -0.131  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.283   1.734   1.265  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.570   2.959   1.874  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.950   4.048   1.095  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.302   5.555   1.844  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.044   3.924  -0.288  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.759   2.700  -0.898  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        4.012  -2.034   0.272  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        5.316  -1.722   0.968  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        4.151  -2.228   1.764  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3