REMARK  Name = BDB055155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.246   0.484  -0.521  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.169   1.172  -1.092  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.904   0.586  -1.185  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.691  -0.707  -0.704  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -1.766  -1.395  -0.131  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.033  -0.803  -0.042  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -4.405   1.196  -0.509  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -6.225  -0.460  -0.781  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -5.660   0.718   0.016  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -5.621   0.500   1.531  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -6.636   1.896  -0.218  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -7.819   1.894   0.097  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.060   2.968  -0.820  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -5.112   2.767  -0.987  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        0.675  -1.343  -0.787  0.00  0.00    +0.038 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.421  -1.362   0.551  0.00  0.00    +0.046 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.789   0.027   1.081  0.00  0.00    +0.231 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.495   0.803   0.115  0.00  0.00    -0.471 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.811   0.592   0.039  0.00  0.00    +0.257 A 
ATOM     20  S   LIG    1        4.760   1.478  -1.073  0.00  0.00    -0.029 S 
ATOM     21  C   LIG    1        6.164   0.636  -0.543  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1        5.797  -0.271   0.454  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        6.795  -1.076   1.038  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        8.123  -0.955   0.615  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        8.466  -0.044  -0.380  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.494   0.766  -0.975  0.00  0.00    +0.017 A 
ATOM     27  N   LIG    1        4.450  -0.287   0.774  0.00  0.00    -0.206 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 9