REMARK  Name = BDB000088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.577  -2.674   1.992  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.304  -1.661   1.362  0.00  0.00    +0.197 A 
ATOM      3  C   LIG    1        2.280  -0.621   0.977  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        1.801   0.474   0.257  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        2.666   1.495  -0.141  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        4.014   1.418   0.183  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.516   0.336   0.900  0.00  0.00    +0.091 A 
ATOM      8  O   LIG    1        0.486   0.628  -0.103  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1       -0.437  -0.345   0.256  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.645  -0.684   1.296  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -0.095  -1.442   0.947  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.830  -0.055  -0.199  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.914  -0.916   0.064  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.196  -0.596  -0.384  0.00  0.00    +0.159 A 
ATOM     15  C   LIG    1       -4.426   0.575  -1.095  0.00  0.00    +0.158 A 
ATOM     16  C   LIG    1       -3.386   1.443  -1.370  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.098   1.128  -0.923  0.00  0.00    +0.015 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -5.270  -1.411  -0.146  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -4.964  -2.186   0.356  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1       -5.683   0.879  -1.528  0.00  0.00    -0.503 OA
ATOM     21  H   LIG    1       -6.236   0.133  -1.221  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   9  12
BRANCH   6  22
ATOM     22  O   LIG    1        4.821   2.438  -0.226  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        5.733   2.265   0.061  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH  10  24
ATOM     24  O   LIG    1        4.148  -1.742   1.999  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1        5.102  -1.641   2.141  0.00  0.00    +0.292 HD
ENDBRANCH  10  24
TORSDOF 5