REMARK  Name = BDB002674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.121   0.231  -2.081  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        0.546   0.231  -1.036  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        1.883   0.022  -1.153  0.00  0.00    -0.263 N 
ATOM      4  H   LIG    1        2.193  -0.169  -2.100  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.924   0.034  -0.266  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        2.778   0.427   1.378  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        4.465   0.197   1.584  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        5.041  -0.152   0.377  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        4.135  -0.245  -0.674  0.00  0.00    -0.225 NA
BRANCH   8  10
ATOM     10  C   LIG    1        6.463  -0.425   0.175  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.442  -0.024   1.097  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        8.793  -0.304   0.869  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        9.183  -0.984  -0.282  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.225  -1.382  -1.210  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.874  -1.103  -0.983  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
ENDBRANCH   3   5
BRANCH   2  16
ATOM     16  C   LIG    1       -0.148   0.468   0.308  0.00  0.00    +0.219 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.616   0.485   0.160  0.00  0.00    -0.326 N 
ATOM     18  C   LIG    1       -2.318   1.409  -0.489  0.00  0.00    +0.090 A 
ATOM     19  C   LIG    1       -2.071   2.689  -1.194  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -3.400   2.905  -1.943  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -4.432   2.013  -1.199  0.00  0.00    +0.124 C 
ATOM     22  N   LIG    1       -3.602   1.061  -0.474  0.00  0.00    -0.329 N 
ATOM     23  C   LIG    1       -3.798  -0.133   0.196  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1       -2.512  -0.500   0.577  0.00  0.00    +0.114 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.120  -0.930   0.490  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1       -5.057  -2.173   1.133  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.228  -2.887   1.399  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.464  -2.364   1.029  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.532  -1.127   0.394  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.363  -0.409   0.125  0.00  0.00    +0.010 A 
ENDBRANCH  23  25
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5