REMARK  Name = BDB055400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.225   0.541   0.666  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.166   1.385   0.314  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.871   0.885   0.099  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        0.766   1.848  -0.276  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1        0.013   2.383   0.947  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.252   3.142   0.548  0.00  0.00    +0.083 C 
ATOM      7  C   LIG    1       -2.469   2.662   1.310  0.00  0.00    +0.201 C 
ATOM      8  C   LIG    1       -3.175   1.379   0.858  0.00  0.00    +0.226 C 
ATOM      9  C   LIG    1       -3.227   1.112  -0.646  0.00  0.00    +0.188 C 
ATOM     10  C   LIG    1       -3.977  -0.174  -1.028  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1       -3.201  -1.463  -0.731  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1       -2.040  -1.698  -1.712  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -0.934  -2.670  -1.244  0.00  0.00    +0.174 C 
ATOM     14  O   LIG    1        0.300  -1.986  -0.907  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1        0.293  -1.053   0.073  0.00  0.00    +0.343 C 
ATOM     16  O   LIG    1       -0.678  -0.620   0.669  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -1.307  -3.674  -0.159  0.00  0.00    +0.052 C 
ATOM     18  O   LIG    1       -3.725   0.673   1.697  0.00  0.00    -0.286 OA
ATOM     19  O   LIG    1       -2.904   3.271   2.284  0.00  0.00    -0.289 OA
ATOM     20  C   LIG    1        1.652  -0.500   0.249  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1        2.710  -1.341   0.618  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1        3.995  -0.826   0.819  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        6.538   0.381   1.212  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.423   1.179   0.834  0.00  0.00    -0.495 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  O   LIG    1       -3.873   2.215  -1.288  0.00  0.00    -0.384 OA
ATOM     26  H   LIG    1       -4.822   2.171  -1.062  0.00  0.00    +0.210 HD
ENDBRANCH   9  25
BRANCH  21  27
ATOM     27  O   LIG    1        2.485  -2.677   0.815  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1        3.311  -3.118   1.072  0.00  0.00    +0.292 HD
ENDBRANCH  21  27
TORSDOF 3