REMARK  Name = BDB032628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.175  -1.715   0.762  0.00  0.00    -0.183 N 
ATOM      2  H   LIG    1       -0.497  -2.656   0.998  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.259  -1.624   1.005  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1        2.071  -2.694   1.190  0.00  0.00    -0.338 OA
ATOM      5  N   LIG    1        3.358  -2.258   1.446  0.00  0.00    -0.076 NA
ATOM      6  C   LIG    1        3.311  -0.915   1.404  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1        1.984  -0.474   1.166  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        4.502  -0.108   1.650  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        4.926   0.929   0.803  0.00  0.00    +0.027 A 
ATOM     10 BR   LIG    1        4.051   1.372  -0.827  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        6.071   1.675   1.119  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        6.803   1.393   2.272  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.400   0.360   3.113  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.260  -0.385   2.803  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.559  -1.478  -0.877  0.00  0.00    +0.078 S 
ATOM     16  O   LIG    1        0.426  -0.658  -1.547  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -0.898  -2.796  -1.376  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1       -4.462  -0.403  -1.128  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -3.261  -1.123  -1.200  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -2.061  -0.542  -0.765  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -2.048   0.768  -0.285  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.246   1.482  -0.195  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.443   0.903  -0.622  0.00  0.00    +0.007 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.982  -0.756  -3.092  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -5.752  -1.018  -1.611  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
BRANCH  21  26
ATOM     26  O   LIG    1       -0.893   1.339   0.175  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -0.461   2.394  -0.688  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 6