REMARK  Name = BDB033817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.712   0.520  -0.305  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1        2.973  -0.663  -0.133  0.00  0.00    +0.249 A 
ATOM      3  C   LIG    1        1.661  -0.628   0.358  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1        1.074   0.598   0.642  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.304   0.632   1.155  0.00  0.00    +0.235 A 
ATOM      6  C   LIG    1       -1.007  -0.677   1.245  0.00  0.00    +0.213 A 
ATOM      7  C   LIG    1       -0.312  -1.800   0.982  0.00  0.00    +0.149 A 
ATOM      8  C   LIG    1       -0.899  -3.175   1.096  0.00  0.00    +0.090 C 
ATOM      9  O   LIG    1       -0.815   1.692   1.498  0.00  0.00    -0.283 OA
ATOM     10  C   LIG    1        1.789   1.786   0.458  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1        1.010  -1.819   0.566  0.00  0.00    -0.452 OA
ATOM     12  C   LIG    1        3.106   1.746  -0.011  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        5.750   1.550  -1.000  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.997   0.370  -0.754  0.00  0.00    -0.491 OA
ENDBRANCH   1  14
BRANCH   2  15
ATOM     15  O   LIG    1        3.595  -1.861  -0.407  0.00  0.00    -0.331 OA
BRANCH  15  16
ATOM     16  O   LIG    1        2.800  -2.514  -1.442  0.00  0.00    -0.201 OA
ATOM     17  H   LIG    1        2.362  -3.147  -0.846  0.00  0.00    +0.267 HD
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   6  18
ATOM     18  O   LIG    1       -2.325  -0.720   1.676  0.00  0.00    -0.449 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.265  -0.054   0.922  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -4.268   0.618   1.621  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.277   1.283   0.924  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.290   1.265  -0.470  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.298   0.578  -1.169  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.286  -0.089  -0.475  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 5