REMARK  Name = BDB033933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.664   2.051  -0.959  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.447   4.115  -1.882  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.613   3.526  -1.107  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        1.302   4.119  -0.676  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.302   3.363  -2.406  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -1.929   5.905  -2.678  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.561   5.568  -2.075  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.126   1.809   0.358  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.066   0.887   0.467  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -1.352   1.235   1.752  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.284   2.642   1.256  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.076  -0.104   0.584  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.773  -1.175   1.553  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -1.561  -0.729   2.984  0.00  0.00    +0.009 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.785  -2.297   1.586  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -2.952  -3.026   0.298  0.00  0.00    +0.004 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -3.461   0.489   0.729  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.621   1.331   1.878  0.00  0.00    -0.328 NA
ATOM     19  H   LIG    1       -4.494   1.238   2.397  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1       -3.303   2.311   1.750  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        2.084   1.754  -0.813  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.417   0.306  -0.686  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        1.439  -1.090  -0.820  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        2.630  -2.287  -0.561  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.741  -1.510  -0.383  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        4.943  -2.199  -0.134  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        4.981  -3.557  -0.075  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.863  -4.338  -0.255  0.00  0.00    -0.049 A 
ATOM     29  C   LIG    1        3.988  -5.804  -0.171  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        2.677  -3.686  -0.500  0.00  0.00    +0.020 A 
ATOM     31  N   LIG    1        3.608  -0.224  -0.450  0.00  0.00    -0.244 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 10