REMARK  Name = BDB054506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.289   0.590  -0.517  0.00  0.00    +0.154 C 
ATOM      2  C   LIG    1       -0.560  -0.624   0.066  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1       -0.119  -0.450   1.498  0.00  0.00    +0.167 C 
ATOM      4  O   LIG    1        1.078   0.338   1.468  0.00  0.00    -0.371 OA
ATOM      5  C   LIG    1        1.608   0.337   0.125  0.00  0.00    +0.154 C 
ATOM      6  C   LIG    1        0.739  -0.626  -0.691  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.343  -0.102  -2.048  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.758   0.793  -1.844  0.00  0.00    -0.371 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.069  -0.060   0.115  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        3.910   0.428  -0.901  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        5.231   0.030  -0.905  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.171   0.408  -1.812  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.327  -0.295  -1.312  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.055  -1.089  -0.140  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.735  -0.824   0.047  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.946  -1.327   1.057  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.602  -0.941   1.087  0.00  0.00    +0.010 A 
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -4.954   0.591   0.567  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -5.560  -0.007  -0.545  0.00  0.00    +0.158 A 
ATOM     20  C   LIG    1       -4.807  -0.400  -1.650  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -3.426  -0.199  -1.651  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.790   0.397  -0.553  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -3.568   0.786   0.554  0.00  0.00    +0.055 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.219   1.639   2.694  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.786   0.935   1.600  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -6.915  -0.206  -0.542  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1       -7.180  -0.587  -1.393  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4