REMARK  Name = BDB054355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.738   0.056  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.857   0.371   0.633  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        4.135  -0.314  -0.521  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        2.932  -0.825  -0.917  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.922  -1.613  -2.160  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.986  -0.445   0.010  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.588   0.304   0.995  0.00  0.00    -0.214 NA
BRANCH   2  10
ATOM      8  C   LIG    1        6.502   1.142  -0.728  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        6.204   1.374   0.729  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1        4.974   1.019   1.330  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        4.789   1.312   2.697  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.790   1.914   3.460  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.003   2.240   2.869  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.208   1.973   1.516  0.00  0.00    +0.004 A 
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.280   0.236  -0.805  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.796   0.049  -0.679  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.287  -1.292  -1.243  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.815  -1.499  -1.228  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.598  -0.414  -1.968  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1       -4.959   0.632  -1.076  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1       -5.816   0.183  -0.016  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1       -7.259   0.489  -0.421  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1       -5.723  -1.230   0.212  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -4.365  -1.658   0.189  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.505   0.991   1.284  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1       -4.691   1.893   1.421  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -6.228   0.591   2.358  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -5.902   1.165   3.082  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8