REMARK  Name = BDB064883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.297  -0.524   1.558  0.00  0.00    +0.412 C 
ATOM      2  C   LIG    1        1.670   0.853   1.274  0.00  0.00    +0.285 C 
ATOM      3  O   LIG    1        0.307   0.752   0.841  0.00  0.00    -0.472 OA
ATOM      4  C   LIG    1       -0.078  -0.405   0.206  0.00  0.00    +0.172 A 
ATOM      5  C   LIG    1        0.851  -1.448  -0.007  0.00  0.00    +0.171 A 
ATOM      6  C   LIG    1        0.494  -2.598  -0.714  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.826  -2.690  -1.164  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.771  -1.676  -0.939  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1       -3.055  -1.884  -1.430  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -4.053  -0.933  -1.262  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.825   0.280  -0.597  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -2.514   0.520  -0.083  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -2.346   1.761   0.575  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.368   2.701   0.727  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.641   2.459   0.225  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -5.699   3.510   0.420  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.880   1.242  -0.442  0.00  0.00    -0.040 A 
ATOM     18  C   LIG    1       -6.258   0.949  -1.001  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -1.445  -0.481  -0.248  0.00  0.00    +0.035 A 
ATOM     20  O   LIG    1        2.154  -1.377   0.418  0.00  0.00    -0.446 OA
ENDROOT
BRANCH   2  21
ATOM     21  C   LIG    1        2.466   1.760   0.341  0.00  0.00    -0.000 A 
ATOM     22  C   LIG    1        2.568   1.514  -1.036  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.318   2.358  -1.859  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.976   3.460  -1.319  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.884   3.721   0.045  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.135   2.879   0.869  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  27
ATOM     27  C   LIG    1        1.485  -3.721  -0.986  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        1.708  -3.920  -2.488  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        1.048  -5.029  -0.321  0.00  0.00    +0.012 C 
ENDBRANCH   6  27
BRANCH   1  30
ATOM     30  O   LIG    1        3.695  -0.448   1.891  0.00  0.00    -0.421 OA
BRANCH  30  32
ATOM     31  C   LIG    1        5.454   0.081   3.340  0.00  0.00    +0.136 C 
ATOM     32  C   LIG    1        3.973   0.043   3.121  0.00  0.00    +0.307 C 
ATOM     33  O   LIG    1        3.143   0.417   3.937  0.00  0.00    -0.251 OA
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 4