REMARK  Name = BDB056039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.067   4.280  -1.091  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -1.828   1.072  -1.510  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.452   0.810  -1.548  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.477   1.847  -1.419  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.053   3.170  -1.236  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -1.323   3.436  -1.221  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.251   2.399  -1.353  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1       -4.656  -2.127  -2.015  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -4.417  -1.605  -0.741  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -3.498  -0.561  -0.548  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1       -2.801  -0.021  -1.647  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1       -3.053  -0.557  -2.923  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.971  -1.598  -3.107  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.839  -3.724  -3.322  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.575  -3.138  -2.053  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
BRANCH  10  16
ATOM     16  C   LIG    1       -3.292  -0.073   0.787  0.00  0.00    +0.100 C 
ATOM     17  N   LIG    1       -3.147   0.308   1.875  0.00  0.00    -0.191 NA
ENDBRANCH  10  16
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  S   LIG    1        0.927   5.227   0.447  0.00  0.00    -0.061 S 
BRANCH  18  19
ATOM     19  C   LIG    1        1.473   4.079   1.630  0.00  0.00    +0.278 A 
ATOM     20  O   LIG    1        1.975   2.840   1.334  0.00  0.00    -0.411 OA
ATOM     21  C   LIG    1        2.249   2.336   2.578  0.00  0.00    +0.249 A 
ATOM     22  N   LIG    1        1.975   3.192   3.540  0.00  0.00    -0.106 NA
ATOM     23  N   LIG    1        1.470   4.319   2.926  0.00  0.00    -0.101 NA
BRANCH  21  24
ATOM     24  C   LIG    1        2.797   0.987   2.653  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        2.973   0.194   1.509  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        3.509  -1.090   1.612  0.00  0.00    +0.163 A 
ATOM     27  O   LIG    1        3.668  -1.784   0.438  0.00  0.00    -0.485 OA
ATOM     28  C   LIG    1        4.539  -2.908   0.616  0.00  0.00    +0.270 C 
ATOM     29  C   LIG    1        4.165  -3.683   1.869  0.00  0.00    +0.270 C 
ATOM     30  O   LIG    1        4.353  -2.875   3.038  0.00  0.00    -0.485 OA
ATOM     31  C   LIG    1        3.850  -1.613   2.861  0.00  0.00    +0.162 A 
ATOM     32  C   LIG    1        3.694  -0.835   4.004  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        3.168   0.457   3.900  0.00  0.00    +0.017 A 
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7