REMARK  Name = BDB001983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.010   0.485   2.765  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        2.115   0.697   1.562  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.198   0.048   0.626  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        0.039  -0.790   0.961  0.00  0.00    +0.230 C 
ATOM      5  C   LIG    1       -0.374  -1.268  -0.480  0.00  0.00    +0.278 C 
ATOM      6  O   LIG    1        0.449  -0.573  -1.453  0.00  0.00    -0.457 OA
ATOM      7  C   LIG    1       -1.802  -0.834  -0.640  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -2.248  -0.091   0.447  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.524   0.441   0.521  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.383   0.206  -0.553  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.952  -0.544  -1.660  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.656  -1.067  -1.710  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.177   0.009   1.433  0.00  0.00    +0.207 C 
ATOM     14  O   LIG    1       -1.284   0.634   2.476  0.00  0.00    -0.288 OA
ATOM     15  C   LIG    1        1.366   0.136  -0.688  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1        2.463   0.880  -1.369  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1        3.623   1.149  -0.401  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        3.148   1.637   0.971  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   5  19
ATOM     19  O   LIG    1       -0.278  -2.678  -0.639  0.00  0.00    -0.349 OA
ATOM     20  H   LIG    1        0.275  -2.978   0.110  0.00  0.00    +0.214 HD
ENDBRANCH   5  19
BRANCH   4  21
ATOM     21  O   LIG    1        0.410  -1.867   1.809  0.00  0.00    -0.371 OA
ATOM     22  H   LIG    1        0.670  -1.445   2.657  0.00  0.00    +0.211 HD
ENDBRANCH   4  21
TORSDOF 2