REMARK  Name = BDB016785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.635   0.740  -0.299  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1        1.794  -0.258  -0.800  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        2.195  -1.508  -1.393  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.529   0.159  -0.550  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.862  -0.284  -0.740  0.00  0.00    +0.161 C 
ATOM      6  N   LIG    1       -1.594   0.890  -0.137  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.684   1.869   0.382  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1       -0.908   2.934   0.934  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.629   1.351   0.087  0.00  0.00    +0.150 A 
ATOM     10  N   LIG    1        1.922   1.712   0.267  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.989   1.007  -0.162  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.777   0.169  -0.865  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.159   0.279  -0.899  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.911  -0.679  -1.695  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.848   1.277  -0.216  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -7.068   1.414  -0.239  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.000   2.209   0.586  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.714   3.273   1.358  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.664   2.053   0.590  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.155  -1.605  -0.047  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.142  -1.725   1.355  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.406  -2.951   1.970  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.682  -4.072   1.191  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.004  -5.582   1.946  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.695  -3.977  -0.198  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.432  -2.751  -0.815  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.844   0.727  -0.245  0.00  0.00    +0.214 A 
ATOM     28  N   LIG    1        6.177   1.015   0.891  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        4.823   1.020   0.814  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        4.096   0.719  -0.335  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.825   0.443  -1.493  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        6.219   0.442  -1.448  0.00  0.00    +0.068 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.792   1.054   1.005  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        8.224   0.706  -0.253  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4