REMARK  Name = BDB054219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.862  -2.800  -0.880  0.00  0.00    +0.010 C 
ATOM      2  C   LIG    1        5.592  -1.704  -0.146  0.00  0.00    -0.045 C 
ATOM      3  C   LIG    1        4.188  -1.112   0.034  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        3.041  -1.860  -0.695  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        1.708  -1.150  -0.664  0.00  0.00    -0.004 C 
ATOM      6  C   LIG    1        0.552  -1.980  -1.125  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        0.727  -2.809  -2.020  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.809  -1.839  -0.467  0.00  0.00    +0.079 C 
ATOM      9  C   LIG    1       -0.832  -0.977   0.787  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -0.892   0.551   0.507  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        0.322   1.029  -0.399  0.00  0.00    -0.007 C 
ATOM     12  C   LIG    1       -0.030   1.174  -1.900  0.00  0.00    +0.016 C 
ATOM     13  C   LIG    1        0.885   2.394   0.102  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1        2.381   2.363  -0.194  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        2.762   0.941   0.191  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        1.572   0.137  -0.290  0.00  0.00    -0.053 C 
ATOM     17  C   LIG    1        4.147   0.421  -0.291  0.00  0.00    -0.019 C 
ATOM     18  C   LIG    1        4.366   0.675  -1.804  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        5.258   1.155   0.509  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        6.642   0.544   0.312  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        6.657  -0.950   0.635  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  10  22
ATOM     22  C   LIG    1       -2.322   1.052   0.037  0.00  0.00    -0.010 C 
ATOM     23  C   LIG    1       -2.449   2.576   0.186  0.00  0.00    +0.008 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.487   0.340   0.784  0.00  0.00    +0.004 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.896   0.825   0.423  0.00  0.00    +0.004 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.049   0.112   1.174  0.00  0.00    -0.011 C 
ATOM     27  C   LIG    1       -7.357   0.854   0.841  0.00  0.00    +0.008 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.243  -1.411   0.911  0.00  0.00    -0.014 C 
ATOM     29  C   LIG    1       -6.062  -1.824  -0.550  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.390  -2.290   1.831  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  10  22
BRANCH  21  31
ATOM     31  O   LIG    1        7.963  -1.451   0.370  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1        8.129  -1.317  -0.579  0.00  0.00    +0.210 HD
ENDBRANCH  21  31
TORSDOF 6