REMARK  Name = BDB054501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769  -1.156  -1.364  0.00  0.00    +0.154 C 
ATOM      2  C   LIG    1        0.044  -0.177  -0.533  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1       -0.416   1.273  -0.553  0.00  0.00    +0.167 C 
ATOM      4  O   LIG    1        0.771   2.082  -0.538  0.00  0.00    -0.371 OA
ATOM      5  C   LIG    1        1.899   1.274  -0.927  0.00  0.00    +0.154 C 
ATOM      6  C   LIG    1        1.347  -0.098  -1.282  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.890  -0.223  -2.729  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.335  -0.971  -2.727  0.00  0.00    -0.371 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.926   1.204   0.190  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        4.231   0.770  -0.110  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        5.150   0.694   0.916  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.444   0.295   0.794  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.897   0.427   2.157  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.870   0.881   3.063  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.823   1.028   2.209  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.560   1.457   2.547  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.606   1.544   1.526  0.00  0.00    +0.010 A 
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -4.234  -1.175   0.262  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -5.049  -0.835  -0.820  0.00  0.00    +0.158 A 
ATOM     20  C   LIG    1       -4.487  -0.605  -2.080  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -3.107  -0.709  -2.268  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.266  -1.039  -1.201  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -2.850  -1.275   0.055  0.00  0.00    +0.055 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.972  -1.382   1.894  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.594  -1.437   1.556  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -6.405  -0.718  -0.688  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1       -6.787  -0.473  -1.547  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4