REMARK  Name = BDB054216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.167   0.942   2.261  0.00  0.00    +0.010 C 
ATOM      2  C   LIG    1       -5.735   0.024   1.372  0.00  0.00    -0.045 C 
ATOM      3  C   LIG    1       -4.288  -0.126   0.886  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1       -3.304   0.963   1.358  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -1.829   0.751   0.940  0.00  0.00    +0.091 C 
ATOM      6  C   LIG    1       -1.627  -0.077  -0.304  0.00  0.00    +0.115 C 
ATOM      7  C   LIG    1       -2.803  -0.528  -1.112  0.00  0.00    +0.106 C 
ATOM      8  C   LIG    1       -2.398  -0.558  -2.555  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1       -0.866  -0.629  -2.531  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -0.408   0.124  -1.225  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -0.299   1.638  -1.542  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1        0.934  -0.548  -0.668  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        0.840  -0.947   0.830  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1        0.555   0.195   1.790  0.00  0.00    +0.075 C 
ATOM     15  O   LIG    1       -2.091  -1.439  -0.257  0.00  0.00    -0.359 OA
ATOM     16  C   LIG    1       -0.933   0.280   2.084  0.00  0.00    +0.139 C 
ATOM     17  O   LIG    1       -1.359   0.041   3.213  0.00  0.00    -0.297 OA
ATOM     18  C   LIG    1       -4.240  -0.293  -0.677  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -4.767   0.983  -1.385  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.102  -1.519  -1.111  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -6.012  -2.083  -0.011  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -6.711  -0.984   0.782  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  12  23
ATOM     23  C   LIG    1        2.263   0.214  -1.064  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1        2.514   0.066  -2.579  0.00  0.00    +0.008 C 
BRANCH  23  25
ATOM     25  C   LIG    1        3.541  -0.257  -0.318  0.00  0.00    +0.004 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.696   0.759  -0.403  0.00  0.00    +0.004 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.080   0.182  -0.018  0.00  0.00    -0.011 C 
ATOM     28  C   LIG    1        7.124   1.301  -0.149  0.00  0.00    +0.008 C 
BRANCH  27  29
ATOM     29  C   LIG    1        6.115  -0.534   1.366  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        7.491  -1.147   1.652  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        5.707   0.354   2.546  0.00  0.00    +0.007 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  12  23
BRANCH  22  32
ATOM     32  O   LIG    1       -7.611  -0.316  -0.103  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1       -7.821   0.551   0.287  0.00  0.00    +0.210 HD
ENDBRANCH  22  32
TORSDOF 6