REMARK  Name = BDB054677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.959   2.066  -0.663  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        2.006   0.710  -0.126  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        3.072   0.050   0.184  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.734   0.127   0.044  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.462   0.784  -0.272  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -0.429   2.087  -0.784  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        0.764   2.803  -1.010  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        0.731   4.000  -1.484  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.724   0.121  -0.070  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.780  -0.432   0.099  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.040  -1.089   0.299  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.094  -2.383   0.807  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.336  -3.016   0.998  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -6.572  -2.409   0.701  0.00  0.00    +0.179 A 
ATOM     15  O   LIG    1       -7.694  -2.994   0.878  0.00  0.00    -0.288 OA
ATOM     16  C   LIG    1       -6.463  -1.101   0.189  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -5.233  -0.446  -0.011  0.00  0.00    +0.012 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        3.233   2.721  -0.862  0.00  0.00    +0.058 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.002   3.046  -0.860  0.00  0.00    -0.048 C 
ATOM     20  C   LIG    1        4.715   3.112  -0.946  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1        6.970   4.177  -1.260  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1        6.491   1.821  -0.353  0.00  0.00    +0.026 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.514   0.395   0.210  0.00  0.00    +0.030 C 
BRANCH  23  26
ATOM     24  C   LIG    1        5.922  -3.372   0.266  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        5.622  -2.118   1.159  0.00  0.00    -0.048 C 
ATOM     26  C   LIG    1        6.103  -0.989   0.736  0.00  0.00    -0.034 C 
ATOM     27  C   LIG    1        5.808  -2.417   2.688  0.00  0.00    +0.026 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7