REMARK  Name = BDB040853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.486   0.255  -0.721  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.043  -0.685  -1.765  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.744  -0.188  -2.443  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.399   0.065  -1.539  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.067   0.378  -0.167  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.439   1.088  -0.104  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.474   0.411   0.494  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.063  -0.699  -0.165  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.761  -0.715  -0.540  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.372  -1.842  -1.161  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.812   0.307  -0.311  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.316   1.424   0.373  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.650   1.485   0.781  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.036  -0.817   0.806  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.618  -0.704   0.599  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.123  -1.399   0.045  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.914   0.440   0.911  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.397   1.416   1.472  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.344  -1.063  -1.540  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.630  -0.764  -0.792  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -2.996  -1.555   0.326  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -4.191  -1.268   1.011  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.885  -1.784   2.143  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.036  -1.034   2.321  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -6.072  -0.102   1.323  0.00  0.00    -0.334 N 
ATOM     26  C   LIG    1       -7.067   0.929   1.040  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1       -6.665   1.859  -0.137  0.00  0.00    +0.240 C 
ATOM     28  N   LIG    1       -5.510   1.611  -0.849  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.301   2.240  -1.613  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.634   0.575  -0.535  0.00  0.00    +0.058 A 
ATOM     31  O   LIG    1       -7.371   2.818  -0.461  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -8.434   0.317   0.747  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -4.960  -0.220   0.544  0.00  0.00    +0.071 A 
ATOM     34  C   LIG    1       -3.455   0.298  -1.214  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4