REMARK  Name = BDB056060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745  -0.320  -0.377  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.527   0.019   0.332  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -2.726  -0.815   1.127  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.350  -0.925   0.901  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.737  -0.195  -0.125  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -1.530   0.634  -0.928  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.905   0.739  -0.700  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1       -7.763   0.341   1.020  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -6.856   0.575   2.054  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -5.479   0.470   1.833  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.976   0.130   0.569  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -5.899  -0.101  -0.463  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -7.279   0.002  -0.242  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1      -10.041   0.240   0.351  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -9.078   0.475   1.370  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        1.113  -1.642  -1.561  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.842  -1.526  -1.631  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        3.580  -0.622  -0.910  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        4.859  -0.920  -1.300  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        4.904  -1.905  -2.173  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        3.598  -2.296  -2.386  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        5.941  -0.135  -0.717  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        7.268  -0.408  -1.091  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        8.277   0.347  -0.528  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1        9.605   0.210  -0.781  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       10.153   1.239   0.070  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1        9.147   1.964   0.809  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        8.016   1.346   0.379  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1        6.733   1.647   0.773  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        5.688   0.898   0.218  0.00  0.00    +0.017 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6