REMARK  Name = BDB032913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.769  -1.406  -0.537  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -0.638  -1.360   0.306  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.258  -2.493   1.042  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.986  -3.677   0.931  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.099  -3.733   0.096  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.492  -2.606  -0.628  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.155  -0.106   0.457  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        1.514  -0.282   0.340  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        1.904  -1.187   0.117  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -0.442   0.951   0.632  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.387   0.765   0.429  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        4.023   0.335   0.190  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        4.448   1.967   0.418  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        3.334   2.734   0.662  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        2.142   2.029   0.670  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        5.803   2.410   0.354  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        6.680   1.570   0.119  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        5.996   3.618   0.543  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.240  -0.207  -1.330  0.00  0.00    +0.047 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.158   0.692  -0.508  0.00  0.00    +0.125 C 
BRANCH  20  22
ATOM     21  O   LIG    1       -3.847   2.664  -1.699  0.00  0.00    -0.251 OA
ATOM     22  C   LIG    1       -3.036   2.119  -0.964  0.00  0.00    +0.305 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.931   2.746  -0.506  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -1.338   2.172   0.048  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7