REMARK  Name = BDB056041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.897  -1.193   0.226  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -5.162  -0.439  -0.117  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -4.491  -0.259   1.103  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -3.119  -0.505   1.216  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.380  -0.942   0.110  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -3.040  -1.117  -1.113  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.412  -0.871  -1.222  0.00  0.00    +0.009 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -8.533   1.287   0.053  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -7.155   1.051   0.172  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -6.607  -0.177  -0.235  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1       -7.477  -1.150  -0.759  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -8.850  -0.913  -0.877  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -9.384   0.308  -0.472  0.00  0.00    +0.033 A 
BRANCH   8  15
ATOM     14  O   LIG    1       -8.319   3.386   1.020  0.00  0.00    -0.126 OA
ATOM     15  N   LIG    1       -9.088   2.576   0.484  0.00  0.00    +0.056 N 
ATOM     16  O   LIG    1      -10.295   2.777   0.289  0.00  0.00    -0.126 OA
ENDBRANCH   8  15
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1        0.057   0.309  -0.136  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.669  -0.296   0.078  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        2.778   0.492  -0.082  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        3.795  -0.388   0.179  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        3.354  -1.596   0.469  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        1.978  -1.535   0.403  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        5.158   0.120   0.101  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.235  -0.744   0.359  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.549  -0.282   0.283  0.00  0.00    +0.163 A 
ATOM     26  O   LIG    1        8.539  -1.199   0.529  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1        9.816  -0.718   0.096  0.00  0.00    +0.270 C 
ATOM     28  C   LIG    1       10.027   0.720   0.539  0.00  0.00    +0.270 C 
ATOM     29  O   LIG    1        9.070   1.587  -0.080  0.00  0.00    -0.485 OA
ATOM     30  C   LIG    1        7.806   1.057  -0.022  0.00  0.00    +0.162 A 
ATOM     31  C   LIG    1        6.751   1.922  -0.294  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        5.434   1.457  -0.232  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6