REMARK  Name = BDB043108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.988   0.057  -1.301  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.653   0.492  -0.669  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.507   0.604   0.550  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.638   0.797  -1.562  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.667   0.557  -3.003  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.698   1.072  -3.480  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.620   0.792  -2.294  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.879   1.661  -2.278  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.326   1.913  -0.837  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.331   2.702  -0.105  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.933   2.419  -0.461  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.825   1.211  -3.777  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.793   2.048  -2.945  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.717   1.022  -1.071  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.673   1.236  -1.991  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.676  -1.804   0.165  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.852  -0.506  -0.272  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -4.277   0.118   0.403  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.982  -2.621  -0.438  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -4.391  -2.097   1.508  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -4.332  -3.592   1.827  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -6.442  -1.551   2.717  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -5.772  -1.569   1.428  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -6.304  -2.146   0.776  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.592   2.815   1.337  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.190   1.655   2.277  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.015   0.393   2.190  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        2.389  -0.837   1.950  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.142  -2.010   1.856  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        4.527  -1.981   2.018  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        5.156  -0.765   2.290  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        4.402   0.412   2.380  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1        5.143  -3.195   1.883  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        6.537  -3.240   2.148  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7