REMARK  Name = BDB009118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.238   2.678  -0.751  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.151   2.225  -0.409  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -2.969   0.787  -0.087  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -4.193  -0.083  -0.184  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -4.004  -1.454   0.468  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.646  -2.046   0.114  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -1.507  -1.128   0.568  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.759   0.324   0.272  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.655   1.328   0.354  0.00  0.00    +0.065 A 
ATOM     10  N   LIG    1       -0.795   2.587   0.070  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1       -2.031   3.006  -0.310  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.133   3.992  -0.525  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.733   0.882   0.781  0.00  0.00    +0.062 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.594   0.614  -0.451  0.00  0.00    +0.041 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.950   0.074  -0.071  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        3.985   0.949   0.286  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.234   0.450   0.658  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.459  -0.925   0.679  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.435  -1.803   0.331  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.184  -1.307  -0.041  0.00  0.00    +0.003 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3