REMARK  Name = BDB045946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.841   0.941  -0.607  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.884   0.059   1.070  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.163   1.210   1.406  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.920   1.461   0.819  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.377   0.572  -0.109  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.092  -0.575  -0.452  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.337  -0.829   0.135  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.234  -0.211   1.695  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.429   0.271   0.862  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.388   1.788   0.671  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        5.428   2.605   1.579  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.316   2.137  -0.639  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        5.265   1.302  -1.163  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.465  -0.348  -0.442  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.641  -1.387  -0.667  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.152  -1.600  -0.463  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.491   0.029  -1.494  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.856   0.603  -1.868  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.848   0.403  -0.817  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1       -4.118   1.304   0.195  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -5.150   0.762   0.961  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.624   1.491   2.062  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.019   2.713   2.308  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -4.018   3.235   1.570  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1       -5.492  -0.504   0.392  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.438  -1.496   0.727  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.529  -2.658  -0.045  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.693  -2.842  -1.141  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.748  -1.875  -1.495  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -3.550   2.536   0.511  0.00  0.00    +0.137 A 
ATOM     31  C   LIG    1       -4.665  -0.709  -0.714  0.00  0.00    +0.050 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10