REMARK  Name = BDB060988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.013  -1.758  -1.204  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -0.092  -2.852  -0.262  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.126  -1.959  -2.631  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.191  -0.493  -0.760  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.524  -0.826  -0.379  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.397   0.232   0.013  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.745  -0.056   0.379  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -5.175  -1.385   0.460  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.345  -2.420   0.064  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.891   1.553   0.017  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.593   1.857  -0.385  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.050  -2.143  -0.367  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.745   0.837  -0.783  0.00  0.00    +0.029 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -5.627   0.942   0.853  0.00  0.00    -0.357 N 
ATOM     15  H   LIG    1       -6.601   0.656   0.831  0.00  0.00    +0.142 HD
ATOM     16  H   LIG    1       -5.502   1.838   0.394  0.00  0.00    +0.142 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        1.487  -1.039  -0.961  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        2.111  -1.165  -1.756  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.063  -1.126   0.379  0.00  0.00    +0.141 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.291   1.722   0.757  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        5.550   0.423   0.310  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        4.508  -0.501   0.194  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.196  -0.138   0.531  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1        2.942   1.170   0.969  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.984   2.094   1.085  0.00  0.00    +0.019 A 
BRANCH  20  27
ATOM     26  N   LIG    1        7.225   3.438   0.970  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        6.360   2.670   0.875  0.00  0.00    +0.099 C 
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6