REMARK  Name = BDB050371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.127  -1.581  -2.061  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        2.036  -0.493  -1.869  0.00  0.00    -0.491 OA
BRANCH   2  11
ATOM      3  C   LIG    1        7.783  -0.083   0.612  0.00  0.00    +0.211 C 
ATOM      4  C   LIG    1        7.258   1.315   0.437  0.00  0.00    +0.327 C 
ATOM      5  O   LIG    1        7.909   2.330   0.663  0.00  0.00    -0.249 OA
ATOM      6  O   LIG    1        5.977   1.397  -0.110  0.00  0.00    -0.425 OA
ATOM      7  C   LIG    1        5.157   0.259  -0.216  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        5.481  -0.922   0.446  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        4.608  -2.006   0.350  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.442  -1.907  -0.421  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.135  -0.718  -1.089  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        3.998   0.373  -0.977  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        6.730  -0.966   1.270  0.00  0.00    +0.065 C 
BRANCH   3  14
ATOM     14  C   LIG    1        9.044  -0.099   1.432  0.00  0.00    +0.321 C 
ATOM     15  O   LIG    1        9.089  -0.268   2.644  0.00  0.00    -0.250 OA
BRANCH  14  17
ATOM     16  C   LIG    1       11.374   0.147   1.333  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       10.131   0.083   0.629  0.00  0.00    -0.467 OA
ENDBRANCH  14  17
ENDBRANCH   3  14
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.012  -1.113  -2.967  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.997  -0.260  -2.248  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -0.920   1.069  -1.890  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        0.086   2.134  -2.041  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -2.077   1.395  -1.239  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -2.809   0.236  -1.240  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -2.204  -0.778  -1.832  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.125   0.286  -0.610  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -4.970  -0.827  -0.674  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.238  -0.803  -0.079  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.708   0.333   0.607  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.852   1.444   0.665  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.583   1.421   0.067  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -8.106   0.324   1.248  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1       -8.456   1.629   2.000  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -8.205  -0.829   2.271  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -9.175   0.125   0.153  0.00  0.00    +0.015 C 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8