REMARK  Name = BDB063176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.389  -0.575  -0.432  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.190   0.792  -0.273  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -0.108   1.293  -0.134  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -1.216   0.440  -0.147  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.554   1.058   0.024  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1       -2.594   2.526   0.146  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1       -1.454   3.226   0.127  0.00  0.00    +0.139 A 
ATOM      8  O   LIG    1       -3.608   0.437   0.077  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -1.024  -0.944  -0.307  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1       -0.200   2.656   0.013  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1        0.283  -1.433  -0.451  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.443   4.695   0.260  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.346   5.503  -0.448  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.313   6.894  -0.317  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.374   7.495   0.519  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.466   6.707   1.221  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.497   5.316   1.090  0.00  0.00    +0.011 A 
ENDBRANCH   7  12
BRANCH   1  18
ATOM     18  O   LIG    1        2.595  -1.201  -0.584  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.767  -0.384  -0.560  0.00  0.00    +0.256 C 
BRANCH  19  22
ATOM     20  C   LIG    1        6.403  -0.588   1.168  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        6.072  -1.399  -0.054  0.00  0.00    -0.076 C 
ATOM     22  C   LIG    1        4.943  -1.291  -0.782  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        7.136  -2.395  -0.439  0.00  0.00    +0.038 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   9  24
ATOM     24  O   LIG    1       -2.134  -1.742  -0.342  0.00  0.00    -0.486 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.960  -3.154  -0.230  0.00  0.00    +0.264 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.291  -3.865  -0.101  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1       -3.347  -5.255  -0.295  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.553  -5.947  -0.157  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.716  -5.260   0.183  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.673  -3.882   0.388  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.468  -3.190   0.252  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7