REMARK  Name = BDB033510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.689   1.830   2.724  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -2.406   2.082   3.405  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.384  -0.476  -0.472  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -3.591   0.701  -0.348  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -3.038   0.695   0.939  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -2.189   1.716   1.393  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -1.936   2.785   0.526  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.463   2.811  -0.762  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -3.484  -0.457   1.555  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -3.172  -0.764   2.472  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.289   1.776  -1.211  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -4.297  -1.169   0.715  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -5.745  -1.228  -2.544  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -5.137  -0.893  -1.613  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1       -0.708   0.609   3.352  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1       -0.184   1.122   4.601  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1       -1.452  -0.634   3.334  0.00  0.00    -0.149 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.697   0.407   2.322  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1        0.551  -0.566   0.930  0.00  0.00    -0.032 S 
ATOM     20  C   LIG    1        2.206  -0.253   0.513  0.00  0.00    +0.163 A 
ATOM     21  N   LIG    1        2.818   0.542   1.369  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1        1.973   0.909   2.396  0.00  0.00    +0.149 A 
BRANCH  20  23
ATOM     23  N   LIG    1        2.809  -0.746  -0.615  0.00  0.00    -0.305 N 
ATOM     24  C   LIG    1        4.272  -0.541  -0.695  0.00  0.00    +0.135 C 
ATOM     25  C   LIG    1        4.783  -0.839  -2.111  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        4.414  -2.159  -2.536  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        2.985  -2.283  -2.548  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        2.383  -2.052  -1.153  0.00  0.00    +0.135 C 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5