REMARK  Name = BDB063067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.216   0.388  -1.059  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -0.172  -0.845  -0.399  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.131  -1.092   0.600  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -2.125  -0.141   0.930  0.00  0.00    +0.104 A 
ATOM      5  C   LIG    1       -2.187   1.075   0.213  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.223   1.317  -0.783  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.579   1.707  -1.664  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        0.694   0.654  -2.051  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  O   LIG    1       -1.051  -2.307   1.240  0.00  0.00    -0.506 OA
ATOM     10  H   LIG    1       -1.917  -2.468   1.672  0.00  0.00    +0.292 HD
ENDBRANCH   3   9
BRANCH   4  11
ATOM     11  C   LIG    1       -3.076  -0.416   2.043  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -3.564   0.379   2.822  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -3.382  -1.730   2.127  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -4.106  -1.736   2.791  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   4  11
BRANCH   2  15
ATOM     15  C   LIG    1        0.901  -1.862  -0.729  0.00  0.00    +0.069 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.140  -1.672   0.109  0.00  0.00    -0.023 C 
ATOM     17  C   LIG    1        3.397  -1.393  -0.294  0.00  0.00    -0.072 C 
ATOM     18  C   LIG    1        3.830  -1.235  -1.728  0.00  0.00    +0.039 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.510  -1.234   0.724  0.00  0.00    +0.057 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.851   0.215   0.947  0.00  0.00    -0.024 C 
ATOM     21  C   LIG    1        5.973   0.874   0.595  0.00  0.00    -0.079 C 
ATOM     22  C   LIG    1        6.140   2.333   0.929  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1        7.135   0.273  -0.146  0.00  0.00    +0.038 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   5  24
ATOM     24  C   LIG    1       -3.278   2.114   0.385  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.455   1.927  -0.585  0.00  0.00    +0.040 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.285   0.695  -0.320  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -6.218   0.677   0.726  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.970  -0.469   0.986  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.796  -1.609   0.204  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.870  -1.604  -0.837  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.118  -0.458  -1.099  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 11