REMARK  Name = BDB062614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.045   0.254  -1.117  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.169  -0.332  -2.432  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.568   1.567  -0.801  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -8.068  -0.139   0.774  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -6.702  -0.623   0.347  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -5.710   0.342   0.335  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -4.371   0.141  -0.047  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.652   1.334   0.076  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.303   1.402  -0.241  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -1.681   0.235  -0.693  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -2.397  -0.967  -0.828  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.517   2.443   0.582  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -3.755  -1.016  -0.498  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.885   1.760   0.695  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -6.544  -1.806   0.049  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.672  -0.805   0.068  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        0.682  -0.289   0.950  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.982  -1.301  -0.240  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.116  -0.570   0.124  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.394  -1.035  -0.217  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1        4.511  -2.235  -0.932  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.372  -2.949  -1.315  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.106  -2.477  -0.976  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.584  -0.292   0.158  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.669   1.082   0.248  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.956   1.366   0.602  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.534   2.672   0.806  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.723   0.272   0.756  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.889  -0.735   0.478  0.00  0.00    +0.142 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4