REMARK  Name = BDB002188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.920   1.470   0.539  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1        1.995   0.682   0.402  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1        3.364   1.207   0.666  0.00  0.00    +0.198 C 
ATOM      4  O   LIG    1        3.687   2.318   1.031  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1        4.274   0.090   0.391  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.552  -1.031  -0.009  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        4.181  -2.220  -0.328  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        5.577  -2.259  -0.235  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        6.314  -1.121   0.171  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.655   0.076   0.490  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        2.112  -0.739  -0.026  0.00  0.00    +0.198 C 
ATOM     12  O   LIG    1        1.248  -1.532  -0.329  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.212   0.529  -0.143  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.435  -0.277   0.698  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.084   0.013   0.923  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -0.479   1.108   0.298  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -1.255   1.926  -0.529  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -2.605   1.635  -0.750  0.00  0.00    +0.024 A 
BRANCH  13  19
ATOM     19  N   LIG    1       -4.578   0.284  -0.413  0.00  0.00    -0.330 N 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.518   1.840   1.281  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -5.426   0.400   0.792  0.00  0.00    +0.102 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -4.785  -0.976  -1.159  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -4.263  -0.879  -2.587  0.00  0.00    +0.024 C 
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   9  24
ATOM     24  C   LIG    1        7.791  -1.240   0.245  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        8.437  -2.238  -0.012  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.382  -0.100   0.639  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        9.340  -0.312   0.645  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 6