REMARK  Name = BDB061296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.780   0.640  -0.300  0.00  0.00    -0.097 C 
ATOM      2  C   LIG    1        1.937   0.795  -0.014  0.00  0.00    -0.064 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        3.322   0.984   0.330  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        4.255  -0.100   0.305  0.00  0.00    +0.064 A 
ATOM      5  N   LIG    1        3.775  -1.353  -0.094  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1        2.767  -1.431   0.034  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1        4.455  -2.609   0.165  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        5.772  -2.667  -0.567  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        6.869  -1.937   0.132  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        6.706  -0.668   0.575  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        7.583  -0.305   0.928  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        7.980  -2.461   0.267  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.499  -2.951   1.652  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.603   0.208   0.602  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        5.950   1.521   0.995  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        5.012   2.547   1.050  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.699   2.280   0.706  0.00  0.00    +0.019 A 
ENDBRANCH   2   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.635   0.446  -0.655  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.984   1.209  -1.930  0.00  0.00    +0.032 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.405   0.953  -2.437  0.00  0.00    +0.106 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -4.531  -1.484   0.513  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -3.897  -0.703  -0.466  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.079   0.687  -0.569  0.00  0.00    +0.036 A 
ATOM     24  N   LIG    1       -3.442   1.466  -1.534  0.00  0.00    -0.330 N 
ATOM     25  C   LIG    1       -3.538   2.926  -1.421  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -4.944   3.348  -1.036  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -5.280   2.748   0.317  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -4.983   1.270   0.348  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -5.611   0.494   1.339  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -5.386  -0.877   1.423  0.00  0.00    +0.046 A 
BRANCH  21  32
ATOM     31  C   LIG    1       -4.859  -3.658   1.422  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -4.220  -2.817   0.469  0.00  0.00    -0.495 OA
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6