REMARK  Name = BDB018373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.058  -5.226  -1.578  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.034  -4.323  -1.077  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.027  -4.836  -0.349  0.00  0.00    +0.253 A 
ATOM      4  O   LIG    1       -0.200  -6.025  -0.093  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -1.017  -3.843   0.130  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1       -0.892  -2.522  -0.097  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        0.321  -2.047  -0.806  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        1.198  -2.964  -1.266  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -1.874  -1.600   0.297  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -2.654  -0.825  -0.695  0.00  0.00    +0.125 C 
ATOM     11  C   LIG    1       -3.595   0.028   0.170  0.00  0.00    +0.095 C 
ATOM     12  C   LIG    1       -3.944  -0.938   1.293  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -2.646  -1.701   1.547  0.00  0.00    +0.107 C 
BRANCH  11  14
ATOM     14  N   LIG    1       -2.873   1.195   0.748  0.00  0.00    -0.190 NA
ATOM     15  H   LIG    1       -1.920   0.957   1.043  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.851   2.610  -0.165  0.00  0.00    +0.027 S 
ATOM     17  O   LIG    1       -1.677   3.336   0.265  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1       -3.082   2.263  -1.548  0.00  0.00    -0.158 OA
ATOM     19  C   LIG    1       -4.285   3.450   0.469  0.00  0.00    +0.214 C 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1        0.631  -0.656  -0.969  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        0.821   0.268   0.034  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        1.160   1.438  -0.590  0.00  0.00    -0.267 N 
ATOM     23  N   LIG    1        1.185   1.334  -1.939  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        0.868   0.056  -2.162  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        1.467   2.709   0.054  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.916   2.784   0.473  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1        3.930   2.907  -0.489  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.269   2.975  -0.104  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.611   2.922   1.246  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.613   2.800   2.212  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.272   2.731   1.829  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 6