REMARK  Name = BDB060117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.036  -0.178  -0.274  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        0.671   0.477   0.908  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.340  -0.042   1.722  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.016  -1.212   1.361  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -0.630  -1.883   0.196  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.381  -1.368  -0.620  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.006  -1.753   2.202  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1       -3.217  -1.446   2.048  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.607  -0.548   1.036  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -3.695   0.825   1.299  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -4.120   1.712   0.308  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.479   1.229  -0.950  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.423  -0.139  -1.215  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.997  -1.023  -0.222  0.00  0.00    +0.029 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1        2.139   0.367  -1.154  0.00  0.00    +0.059 C 
BRANCH  15  19
ATOM     16  O   LIG    1        6.970   0.766  -1.986  0.00  0.00    -0.263 OA
ATOM     17  C   LIG    1        5.916   0.458  -1.458  0.00  0.00    +0.279 C 
ATOM     18  S   LIG    1        4.583  -0.280  -2.304  0.00  0.00    -0.054 S 
ATOM     19  C   LIG    1        3.498  -0.256  -0.830  0.00  0.00    +0.146 C 
ATOM     20  C   LIG    1        4.281   0.551   0.191  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1        3.829   1.039   1.218  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1        5.589   0.686  -0.166  0.00  0.00    -0.246 N 
ATOM     23  H   LIG    1        6.209   1.242   0.402  0.00  0.00    +0.158 HD
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 4