REMARK  Name = BDB059172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.761   1.268   0.905  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.471   0.921   0.842  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.093   0.061  -0.134  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.991  -0.451  -1.055  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.307  -0.056  -0.885  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.703   0.805   0.077  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.351  -0.240  -0.118  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.291   0.813  -0.146  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -3.664   0.555  -0.121  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -4.101  -0.764  -0.061  0.00  0.00    +0.139 A 
ATOM     11  O   LIG    1       -5.474  -1.075  -0.033  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1       -6.436  -0.074  -0.064  0.00  0.00    +0.337 A 
ATOM     13  C   LIG    1       -5.951   1.316  -0.126  0.00  0.00    +0.092 A 
ATOM     14  O   LIG    1       -7.637  -0.316  -0.041  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1       -3.204  -1.825  -0.019  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.650   1.623  -0.153  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -1.833  -1.561  -0.041  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1        0.584  -1.291  -2.134  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        0.253  -1.960  -3.023  0.00  0.00    -0.191 NA
ENDBRANCH   4  18
BRANCH   1  20
ATOM     20  S   LIG    1        2.294   2.386   2.169  0.00  0.00    -0.073 S 
BRANCH  20  21
ATOM     21  C   LIG    1        0.752   3.299   2.464  0.00  0.00    +0.165 C 
BRANCH  21  23
ATOM     22  C   LIG    1        0.075   4.878   0.418  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        0.380   4.167   1.337  0.00  0.00    -0.094 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   5  24
ATOM     24  S   LIG    1        3.641  -0.622  -1.936  0.00  0.00    -0.027 S 
BRANCH  24  25
ATOM     25  C   LIG    1        3.951  -2.119  -1.133  0.00  0.00    +0.215 A 
ATOM     26  N   LIG    1        5.128  -2.801  -1.224  0.00  0.00    -0.223 N 
ATOM     27  C   LIG    1        6.331  -2.473  -1.936  0.00  0.00    +0.177 C 
ATOM     28  N   LIG    1        5.047  -3.930  -0.499  0.00  0.00    -0.043 NA
ATOM     29  N   LIG    1        3.825  -3.924   0.019  0.00  0.00    -0.022 NA
ATOM     30  N   LIG    1        3.130  -2.804  -0.369  0.00  0.00    -0.101 NA
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7