REMARK  Name = BDB034081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.298   1.596   0.188  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -3.241   3.893   0.396  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.401   2.531   0.448  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -4.336   2.126   0.464  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -2.150   4.431   0.247  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -4.399   6.130   0.289  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -4.542   4.647   0.584  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -2.972   0.245  -0.149  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.136  -0.744  -0.599  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -1.134  -0.559  -0.652  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -4.188   0.083  -0.019  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.587  -2.087  -0.936  0.00  0.00    +0.083 C 
ATOM     13  C   LIG    1       -3.115  -2.127  -2.368  0.00  0.00    +0.029 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -1.446  -3.115  -0.750  0.00  0.00    +0.099 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -0.881  -3.075   0.602  0.00  0.00    -0.328 NA
ATOM     16  H   LIG    1       -0.234  -3.851   0.726  0.00  0.00    +0.118 HD
ATOM     17  H   LIG    1       -1.627  -3.198   1.285  0.00  0.00    +0.118 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.368   1.484   1.404  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.046   0.845   1.087  0.00  0.00    +0.082 A 
ATOM     20  S   LIG    1        1.065   0.516   2.356  0.00  0.00    -0.072 S 
ATOM     21  C   LIG    1        2.165  -0.166   1.220  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.605  -0.093  -0.052  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        2.341  -0.591  -1.144  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        3.609  -1.148  -0.935  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.165  -1.221   0.347  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        3.436  -0.724   1.442  0.00  0.00    +0.021 A 
ATOM     27  N   LIG    1        0.343   0.479  -0.115  0.00  0.00    -0.244 NA
BRANCH  25  28
ATOM     28  C   LIG    1        5.543  -1.821   0.579  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.632  -1.007  -0.122  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        5.601  -3.289   0.151  0.00  0.00    +0.012 C 
ENDBRANCH  25  28
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9