REMARK  Name = BDB016794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.698  -0.769   0.708  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.198  -0.101  -0.311  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.495  -0.192   0.383  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.394  -0.752   1.618  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.589  -0.819   2.246  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.440  -0.310   1.369  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.812   0.074   0.188  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.030  -1.133   1.888  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.361  -1.677   2.907  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.250  -1.766   1.384  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1        4.822  -1.597   0.091  0.00  0.00    +0.203 A 
ATOM     12  N   LIG    1        3.984  -1.151  -0.914  0.00  0.00    -0.282 N 
ATOM     13  C   LIG    1        4.780  -1.064  -2.037  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1        6.005  -1.440  -1.733  0.00  0.00    -0.134 NA
ATOM     15  C   LIG    1        4.307  -0.612  -3.364  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1        2.630  -0.876  -0.735  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1        2.052  -1.031   0.476  0.00  0.00    +0.058 A 
ATOM     18  N   LIG    1        6.031  -1.774  -0.399  0.00  0.00    -0.126 NA
ATOM     19  C   LIG    1        2.936  -1.491   1.561  0.00  0.00    +0.074 A 
BRANCH  10  21
ATOM     20  C   LIG    1        4.665  -2.424   3.650  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.147  -2.194   2.332  0.00  0.00    -0.491 OA
ENDBRANCH  10  21
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  C   LIG    1        0.223   1.331  -0.608  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.416   1.747  -1.938  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.806   3.058  -2.228  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.005   3.967  -1.192  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.479   5.580  -1.552  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.820   3.577   0.131  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.432   2.267   0.422  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1       -4.963  -0.174   1.678  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -5.609  -1.168   2.609  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -5.910  -1.215   1.140  0.00  0.00    +0.012 C 
ENDBRANCH   6  29
BRANCH   7  32
ATOM     32  C   LIG    1       -3.494   0.621  -0.976  0.00  0.00    +0.083 C 
ATOM     33  C   LIG    1       -3.388   2.143  -1.034  0.00  0.00    +0.030 C 
ATOM     34  C   LIG    1       -3.066  -0.033  -2.289  0.00  0.00    +0.030 C 
ENDBRANCH   7  32
TORSDOF 5