REMARK  Name = BDB002545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.046   0.859  -0.216  0.00  0.00    -0.194 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.510   4.484   1.423  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -2.280   3.983   1.851  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.788   2.781   1.330  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.528   2.075   0.380  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -3.753   2.575  -0.057  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.242   3.774   0.468  0.00  0.00    +0.047 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -3.395   6.401   2.824  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1       -4.100   5.642   1.849  0.00  0.00    -0.495 OA
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  S   LIG    1       -1.965  -0.457   0.866  0.00  0.00    +0.079 S 
ATOM     11  O   LIG    1       -0.759  -0.352   1.654  0.00  0.00    -0.150 OA
ATOM     12  O   LIG    1       -3.262  -0.650   1.479  0.00  0.00    -0.150 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -1.762  -1.888  -0.076  0.00  0.00    +0.152 A 
ATOM     14  C   LIG    1       -2.456  -2.249  -1.222  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1       -3.579  -1.599  -1.942  0.00  0.00    +0.067 C 
ATOM     16  N   LIG    1       -1.904  -3.443  -1.607  0.00  0.00    -0.269 N 
ATOM     17  C   LIG    1       -2.290  -4.267  -2.731  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -0.895  -3.847  -0.817  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1       -0.855  -2.943   0.173  0.00  0.00    +0.087 A 
ATOM     20  C   LIG    1        0.077  -3.142   1.313  0.00  0.00    +0.069 C 
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   1  21
ATOM     21  C   LIG    1       -0.948   1.022  -1.200  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.485   0.905  -0.705  0.00  0.00    +0.236 C 
ATOM     23  N   LIG    1        1.085  -0.298  -1.051  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        0.512  -0.998  -1.509  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.011   1.828  -0.089  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        2.410  -0.705  -0.783  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        3.367   0.096  -0.157  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        4.655  -0.397   0.071  0.00  0.00    +0.164 A 
ATOM     29  O   LIG    1        5.532   0.444   0.709  0.00  0.00    -0.485 OA
ATOM     30  C   LIG    1        6.671  -0.268   1.203  0.00  0.00    +0.270 C 
ATOM     31  C   LIG    1        7.218  -1.203   0.137  0.00  0.00    +0.270 C 
ATOM     32  O   LIG    1        6.259  -2.215  -0.191  0.00  0.00    -0.485 OA
ATOM     33  C   LIG    1        5.006  -1.682  -0.351  0.00  0.00    +0.162 A 
ATOM     34  C   LIG    1        4.056  -2.492  -0.964  0.00  0.00    +0.051 A 
ATOM     35  C   LIG    1        2.764  -2.004  -1.180  0.00  0.00    +0.027 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7