REMARK  Name = BDB006607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.808   1.569   1.500  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.239   0.575   0.562  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.904   0.187   0.392  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.527   0.395   0.877  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.236  -0.572   0.009  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.636  -1.253  -0.898  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.385  -2.091  -1.745  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.921  -0.744  -0.599  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.196  -0.897  -0.991  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.037  -0.091  -0.298  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.611  -0.783   0.155  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.339  -0.176   1.115  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.701  -0.378   1.272  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.389   0.335   2.338  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.432  -1.230   0.450  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.638  -1.437   0.564  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.651  -1.911  -0.627  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.412  -2.823  -1.536  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.332  -1.678  -0.737  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.224   1.863   0.644  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.116   2.373  -0.623  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.386   3.732  -0.798  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.317   4.599   0.289  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.650   6.272   0.074  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.021   4.117   1.551  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.290   2.758   1.728  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.655  -1.805  -2.056  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1       -4.919  -2.624  -1.928  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.585  -3.308  -1.914  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3