REMARK  Name = BDB042668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.189   0.820   1.812  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.570   1.487   1.886  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.744   1.718  -2.321  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.648   1.129  -1.250  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1       -5.484  -0.044  -0.932  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.329  -0.661   0.304  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -6.052  -1.739   0.692  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -6.958  -2.211  -0.196  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -7.178  -1.658  -1.450  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.350  -0.155   1.261  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.591   0.906   0.942  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -6.425  -0.549  -1.827  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -3.754   1.526  -0.278  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.198   2.339  -0.515  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.495   1.003   0.455  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.830   0.364   0.396  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        1.332   0.349  -0.988  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        2.629  -0.470  -1.095  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.637  -0.084  -0.040  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        3.234   0.604   1.044  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.806   1.017   1.284  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.045  -0.491  -0.229  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1        5.362  -1.767  -0.712  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.691  -2.135  -0.901  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        6.975  -3.361  -1.358  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.729  -1.254  -0.624  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.432   0.021  -0.151  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.099   0.399   0.043  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5