REMARK  Name = BDB048759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185  -1.666  -1.191  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.375  -0.318  -1.647  0.00  0.00    +0.097 C 
BRANCH   2   7
ATOM      3  C   LIG    1        3.816   0.154  -0.633  0.00  0.00    +0.109 A 
ATOM      4  S   LIG    1        3.288   0.964   0.793  0.00  0.00    -0.072 S 
ATOM      5  C   LIG    1        1.654   0.762   0.325  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.556   1.268   1.193  0.00  0.00    +0.053 C 
ATOM      7  C   LIG    1        1.596   0.084  -0.879  0.00  0.00    +0.055 A 
ATOM      8  N   LIG    1        2.831  -0.251  -1.414  0.00  0.00    -0.244 NA
BRANCH   3  11
ATOM      9  C   LIG    1        7.637   0.150  -0.446  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        6.295   0.380  -0.114  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        5.247  -0.063  -0.938  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        5.590  -0.749  -2.115  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        6.924  -0.983  -2.454  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        7.947  -0.533  -1.620  0.00  0.00    +0.045 A 
BRANCH   9  16
ATOM     15  C   LIG    1        9.916   0.433   0.174  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        8.538   0.644   0.458  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   3  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -0.846  -1.571   0.074  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.155  -1.176   0.117  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.705  -1.167   1.403  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -4.021  -0.765   1.571  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -4.808  -0.730   2.842  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -5.970   0.186   2.439  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -6.205  -0.040   0.926  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1       -4.804  -0.379   0.479  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -4.277  -0.400  -0.802  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.943  -0.793  -0.978  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.806   1.182   0.231  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.226   1.445   0.672  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -8.913   0.685   1.335  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.692   2.635   0.226  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -8.047   3.142  -0.302  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9