REMARK  Name = BDB056057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.203   4.388  -2.337  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.604   2.928  -2.817  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        1.407   2.188  -1.991  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1        1.793   1.160  -2.811  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1        1.296   1.270  -4.025  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1        0.531   2.419  -4.030  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1        2.655   0.134  -2.240  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.118   0.208  -0.917  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        3.942  -0.790  -0.397  0.00  0.00    +0.163 A 
ATOM     10  O   LIG    1        4.362  -0.627   0.899  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1        5.454  -1.502   1.207  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1        5.174  -2.908   0.703  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1        5.074  -2.922  -0.726  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1        4.295  -1.891  -1.183  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        3.858  -1.971  -2.501  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.042  -0.964  -3.026  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.203   4.220  -0.532  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -2.817   1.067   0.926  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.425   0.983   1.080  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.584   2.000   0.615  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.113   3.128  -0.023  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -2.503   3.224  -0.171  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.341   2.205   0.295  0.00  0.00    +0.009 A 
BRANCH  18  27
ATOM     24  C   LIG    1       -5.394  -2.069   2.337  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -4.486  -1.461   3.207  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -3.647  -0.440   2.745  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.700  -0.007   1.410  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -4.620  -0.629   0.549  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -5.459  -1.651   1.005  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1       -6.948  -3.963   3.190  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1       -6.253  -3.116   2.807  0.00  0.00    +0.099 C 
ENDBRANCH  24  31
ENDBRANCH  18  27
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6