REMARK  Name = BDB060558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370  -1.777  -0.915  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.054  -0.625  -0.501  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.203  -0.699   0.314  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.637  -1.993   0.666  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.972  -3.147   0.231  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.840  -3.037  -0.568  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.936   0.578   0.781  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -4.388   0.589   0.253  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -2.282   1.891   0.277  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -2.938   0.664   2.323  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   4  11
ATOM     11  O   LIG    1       -3.745  -2.148   1.454  0.00  0.00    -0.506 OA
ATOM     12  H   LIG    1       -3.923  -3.094   1.575  0.00  0.00    +0.292 HD
ENDBRANCH   4  11
BRANCH   1  13
ATOM     13  O   LIG    1        0.738  -1.723  -1.730  0.00  0.00    -0.456 OA
BRANCH  13  17
ATOM     14  C   LIG    1        3.885   0.845  -0.758  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.406   0.740  -2.072  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.349  -0.122  -2.372  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        1.754  -0.873  -1.359  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        2.239  -0.792  -0.051  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.298   0.071   0.251  0.00  0.00    +0.015 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.543   1.904   0.919  0.00  0.00    +0.091 C 
ATOM     21  C   LIG    1        5.017   1.782  -0.487  0.00  0.00    +0.160 C 
ATOM     22  O   LIG    1        5.502   2.438  -1.406  0.00  0.00    -0.292 OA
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 5