REMARK  Name = BDB054503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.578   0.046  -0.220  0.00  0.00    -0.040 C 
ATOM      2  C   LIG    1        0.048  -0.638   1.029  0.00  0.00    +0.036 C 
ATOM      3  C   LIG    1       -1.383  -1.171   0.907  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1       -2.316  -0.190   0.185  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1       -2.545   1.082   1.005  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.742   0.129  -1.220  0.00  0.00    +0.169 C 
ATOM      7  C   LIG    1       -0.263   0.369  -1.228  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        2.901  -0.945  -0.377  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        2.080   0.344  -0.265  0.00  0.00    +0.082 C 
ATOM     10  C   LIG    1        2.534   1.172   0.942  0.00  0.00    +0.046 C 
BRANCH   9  11
ATOM     11  O   LIG    1        2.364   1.124  -1.435  0.00  0.00    -0.385 OA
ATOM     12  H   LIG    1        3.319   1.303  -1.446  0.00  0.00    +0.211 HD
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  13
ATOM     13  O   LIG    1       -3.594  -0.833   0.035  0.00  0.00    -0.386 OA
ATOM     14  H   LIG    1       -3.494  -1.389  -0.766  0.00  0.00    +0.210 HD
ENDBRANCH   4  13
BRANCH   6  15
ATOM     15  O   LIG    1       -2.006  -0.996  -2.075  0.00  0.00    -0.385 OA
ATOM     16  H   LIG    1       -1.446  -0.889  -2.863  0.00  0.00    +0.210 HD
ENDBRANCH   6  15
TORSDOF 4