REMARK  Name = BDB016935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.234   0.632  -0.518  0.00  0.00    -0.236 N 
ATOM      2  C   LIG    1       -0.241  -0.497  -0.536  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1        0.925   0.167   0.064  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.670   1.439   0.448  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        1.754   2.004   1.019  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        2.692   1.060   1.000  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1        2.221  -0.099   0.376  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.689   1.796   0.123  0.00  0.00    +0.273 C 
ATOM      9  O   LIG    1       -1.210   2.871   0.368  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1       -4.485  -1.880  -3.278  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -4.079  -0.664  -2.486  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -4.932   0.458  -2.322  0.00  0.00    +0.181 A 
ATOM     13  N   LIG    1       -4.467   1.526  -1.590  0.00  0.00    -0.195 N 
ATOM     14  C   LIG    1       -5.484   2.449  -1.608  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1       -6.498   1.969  -2.304  0.00  0.00    -0.132 NA
ATOM     16  C   LIG    1       -5.394   3.759  -0.931  0.00  0.00    +0.090 C 
ATOM     17  N   LIG    1       -3.261   1.645  -0.977  0.00  0.00    -0.148 NA
ATOM     18  C   LIG    1       -2.483   0.619  -1.116  0.00  0.00    +0.150 A 
ATOM     19  N   LIG    1       -6.149   0.715  -2.753  0.00  0.00    -0.128 NA
ATOM     20  C   LIG    1       -2.864  -0.601  -1.904  0.00  0.00    +0.053 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.693  -1.707   0.269  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.495  -3.001  -0.246  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.886  -4.127   0.485  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.474  -3.971   1.738  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.950  -5.358   2.635  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.673  -2.700   2.267  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.282  -1.573   1.539  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1        4.077   1.251   1.560  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1        4.072   1.984   2.904  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1        4.640   3.291   2.706  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1        4.689   3.527   1.297  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1        4.909   2.165   0.677  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1        2.909  -1.352   0.088  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1        4.179  -1.180  -0.746  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        3.136  -2.196   1.341  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4