REMARK  Name = BDB055028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.742  -2.347  -2.257  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        0.988  -2.264  -1.153  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.097  -1.145  -0.714  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -0.409  -1.637   0.649  0.00  0.00    +0.188 C 
ATOM      5  C   LIG    1       -1.945  -1.725   0.817  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -2.675  -0.409   1.212  0.00  0.00    +0.049 C 
ATOM      7  C   LIG    1       -3.112   0.459  -0.000  0.00  0.00    +0.171 C 
ATOM      8  O   LIG    1       -2.036   0.583  -0.919  0.00  0.00    -0.342 OA
ATOM      9  C   LIG    1       -1.286   1.773  -0.640  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        0.059   1.385  -0.005  0.00  0.00    +0.080 C 
ATOM     11  C   LIG    1       -1.086   2.498  -1.970  0.00  0.00    +0.042 C 
ATOM     12  C   LIG    1       -2.132   2.604   0.337  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1       -3.470   1.901   0.336  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -3.885  -0.760   2.095  0.00  0.00    +0.013 C 
ATOM     15  O   LIG    1        0.084  -2.987   0.817  0.00  0.00    -0.457 OA
ATOM     16  C   LIG    1        0.830   0.224  -0.664  0.00  0.00    +0.190 C 
ATOM     17  C   LIG    1        0.938  -3.354  -0.166  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1        1.543  -4.408  -0.222  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   7  19
ATOM     19  O   LIG    1       -4.206  -0.122  -0.683  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -3.893  -0.975  -1.022  0.00  0.00    +0.213 HD
ENDBRANCH   7  19
BRANCH  16  21
ATOM     21  O   LIG    1        2.038   0.039   0.123  0.00  0.00    -0.460 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.129   0.764  -0.249  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1        3.143   1.594  -1.148  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.331   0.424   0.608  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1        4.678  -1.056   0.496  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        4.091   0.843   2.054  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  16  21
TORSDOF 4