REMARK  Name = BDB036894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.578  -2.230  -0.530  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        0.118  -2.193  -1.900  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        1.144  -3.420   0.061  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        3.610   1.136   0.058  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        3.371   0.214   1.085  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        2.444  -0.815   0.903  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.748  -0.910  -0.306  0.00  0.00    +0.105 A 
ATOM      8  C   LIG    1        1.992  -0.005  -1.344  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        2.922   1.021  -1.157  0.00  0.00    +0.021 A 
BRANCH   4  11
ATOM     10  N   LIG    1        5.324   3.053   0.398  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1        4.560   2.193   0.248  0.00  0.00    +0.099 C 
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   1  12
ATOM     12  N   LIG    1       -0.711  -1.768   0.438  0.00  0.00    -0.178 NA
ATOM     13  H   LIG    1       -0.548  -1.959   1.430  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.429  -0.524   0.119  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -1.285   0.455   1.281  0.00  0.00    +0.238 C 
ATOM     16  O   LIG    1       -0.395   0.361   2.124  0.00  0.00    -0.274 OA
ATOM     17  N   LIG    1       -2.223   1.456   1.346  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -2.134   2.088   2.132  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.463   1.441   0.758  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.335   2.229   1.109  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.673   0.438  -0.352  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -2.904  -0.846  -0.085  0.00  0.00    +0.039 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 4