REMARK  Name = BDB008905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.565  -2.238   1.073  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.070  -2.430  -0.223  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.285  -2.236  -0.501  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.177  -1.868   0.514  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1        0.685  -1.688   1.813  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.671  -1.880   2.091  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.027  -2.454   1.386  0.00  0.00    +0.092 C 
BRANCH   7  16
ATOM      8  O   LIG    1       -6.470  -0.083  -2.209  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -5.692  -0.557  -1.388  0.00  0.00    +0.268 A 
ATOM     10  C   LIG    1       -4.932   0.300  -0.444  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.147   1.783  -0.566  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.112   2.605   0.205  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -3.848   2.000   1.578  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -3.336   0.561   1.457  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -4.102  -0.258   0.456  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -3.977  -1.750   0.421  0.00  0.00    +0.069 A 
ATOM     17  N   LIG    1       -4.635  -2.512  -0.402  0.00  0.00    -0.175 NA
ATOM     18  N   LIG    1       -5.477  -1.904  -1.279  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -5.985  -2.507  -1.917  0.00  0.00    +0.192 HD
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        2.640  -1.653   0.203  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.831  -0.395  -0.515  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        2.453   0.370   0.040  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.232  -0.133  -0.864  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.287   1.023  -1.885  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        4.492   2.377  -1.216  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.815   2.428  -0.448  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        6.271   1.062   0.069  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.083   0.162   0.389  0.00  0.00    +0.019 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5