REMARK  Name = BDB001086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.504   2.233   1.602  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        0.199   2.254   0.388  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.465   2.843   0.314  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        2.012   3.463   1.442  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.313   3.453   2.650  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.065   2.831   2.732  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.227   2.879  -0.958  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        2.363   1.713  -1.707  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        2.085   0.356  -1.218  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        2.994  -0.698  -1.875  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        2.957  -0.719  -3.347  0.00  0.00    -0.313 NA
ATOM     12  H   LIG    1        2.220  -1.351  -3.657  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1        2.683   0.617  -3.914  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1        3.044   1.798  -2.999  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        2.719   3.953  -1.299  0.00  0.00    -0.270 OA
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  C   LIG    1       -1.833   1.529   1.678  0.00  0.00    +0.076 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.674   0.063   2.082  0.00  0.00    +0.233 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.909  -0.613   1.797  0.00  0.00    -0.491 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -2.477  -2.576   0.450  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1       -2.703  -1.962   1.687  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1       -2.837  -2.738   2.840  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.712  -4.127   2.765  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -2.467  -4.742   1.537  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.353  -3.971   0.378  0.00  0.00    +0.017 A 
BRANCH  19  28
ATOM     25  N   LIG    1       -3.125  -2.184  -1.842  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.917  -2.796  -1.697  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -3.152  -1.565  -2.642  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -2.343  -1.781  -0.793  0.00  0.00    +0.245 C 
ATOM     29  O   LIG    1       -1.577  -0.833  -0.892  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6