REMARK  Name = BDB031652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.879  -2.447   1.377  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.031  -1.718   0.367  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -1.931  -0.298   0.283  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.096   0.245  -0.706  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1       -1.140   1.614  -0.577  0.00  0.00    -0.359 N 
ATOM      6  H   LIG    1       -0.620   2.260  -1.154  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.975   1.970   0.440  0.00  0.00    +0.094 A 
ATOM      8  C   LIG    1       -0.367  -0.541  -1.610  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.472  -1.923  -1.512  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.498   0.819   1.002  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.290  -2.499  -0.547  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.515   0.048  -2.552  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.230   0.886  -3.051  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.179  -0.094  -2.338  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        2.557  -1.489  -2.334  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.778   0.848  -3.261  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.428   0.545  -0.695  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        2.383  -0.328   0.399  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.570   0.176   1.688  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.820   1.542   1.872  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        2.889   2.403   0.773  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.697   1.906  -0.515  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1        2.509  -0.701   2.821  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        2.465  -1.400   3.746  0.00  0.00    -0.191 NA
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -3.438   0.866   2.112  0.00  0.00    +0.260 C 
ATOM     26  O   LIG    1       -3.973  -0.102   2.641  0.00  0.00    -0.296 OA
ENDBRANCH  10  25
TORSDOF 5