REMARK  Name = BDB048595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.282   1.453  -0.044  0.00  0.00    -0.120 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -5.752   0.302  -0.302  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -5.021   0.071   0.856  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -5.520  -0.477   2.161  0.00  0.00    +0.039 C 
ATOM      5  C   LIG    1       -4.207  -0.859   2.852  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -3.142   0.112   2.327  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -3.659   0.406   0.949  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -2.993   0.982  -0.124  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.722   1.211  -1.296  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -5.086   0.872  -1.388  0.00  0.00    +0.047 A 
BRANCH   2  11
ATOM     11  O   LIG    1       -7.069  -0.052  -0.260  0.00  0.00    -0.481 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -7.841   0.197  -1.438  0.00  0.00    +0.349 C 
BRANCH  12  14
ATOM     13  O   LIG    1      -10.167  -0.185  -2.008  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -9.269  -0.258  -1.182  0.00  0.00    +0.343 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -9.459  -0.758   0.064  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.611  -0.724   0.560  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.539  -0.122  -0.579  0.00  0.00    +0.109 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.967  -0.047  -0.587  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        1.702  -0.322   0.574  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.099  -0.243   0.574  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.780   0.117  -0.589  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.051   0.399  -1.746  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        1.657   0.323  -1.748  0.00  0.00    +0.008 A 
BRANCH  21  24
ATOM     24  O   LIG    1        5.136   0.230  -0.729  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.932  -0.013   0.430  0.00  0.00    +0.264 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.388   0.142   0.062  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        7.953  -0.657  -0.944  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        9.303  -0.531  -1.276  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       10.102   0.392  -0.606  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.553   1.192   0.395  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.203   1.067   0.729  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10