REMARK  Name = BDB064882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.922  -0.313   0.354  0.00  0.00    +0.412 C 
ATOM      2  C   LIG    1        2.234   0.796  -0.456  0.00  0.00    +0.285 C 
ATOM      3  O   LIG    1        0.821   0.740  -0.199  0.00  0.00    -0.472 OA
ATOM      4  C   LIG    1        0.275  -0.519  -0.328  0.00  0.00    +0.172 A 
ATOM      5  C   LIG    1        1.118  -1.656  -0.331  0.00  0.00    +0.171 A 
ATOM      6  C   LIG    1        0.594  -2.933  -0.543  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.788  -3.038  -0.731  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.641  -1.922  -0.698  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1       -2.998  -2.147  -0.905  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.911  -1.100  -0.892  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.525   0.226  -0.646  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -2.140   0.480  -0.411  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -1.817   1.825  -0.112  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.758   2.856  -0.077  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.100   2.606  -0.337  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -5.066   3.759  -0.289  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.496   1.285  -0.624  0.00  0.00    -0.040 A 
ATOM     18  C   LIG    1       -5.954   0.978  -0.898  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -1.155  -0.611  -0.468  0.00  0.00    +0.035 A 
ATOM     20  O   LIG    1        2.478  -1.582  -0.143  0.00  0.00    -0.446 OA
ENDROOT
BRANCH   2  21
ATOM     21  C   LIG    1        2.695   2.230  -0.230  0.00  0.00    -0.000 A 
ATOM     22  C   LIG    1        2.016   3.265  -0.902  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        2.402   4.599  -0.755  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.481   4.923   0.061  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.173   3.914   0.726  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.787   2.578   0.579  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  27
ATOM     27  C   LIG    1        1.474  -4.175  -0.564  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        1.390  -4.908  -1.906  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        1.133  -5.117   0.595  0.00  0.00    +0.012 C 
ENDBRANCH   6  27
BRANCH   1  30
ATOM     30  O   LIG    1        2.630  -0.184   1.757  0.00  0.00    -0.421 OA
BRANCH  30  32
ATOM     31  C   LIG    1        3.060  -0.654   4.005  0.00  0.00    +0.136 C 
ATOM     32  C   LIG    1        3.530  -0.763   2.587  0.00  0.00    +0.307 C 
ATOM     33  O   LIG    1        4.585  -1.280   2.249  0.00  0.00    -0.251 OA
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 4