REMARK  Name = BDB046027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.458   0.647  -0.910  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.916  -0.374  -0.409  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.252  -1.583  -0.415  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.533  -2.259   0.288  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.146  -1.654  -0.811  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.007  -1.636   0.447  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        1.573  -2.039   1.529  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.419  -1.164   0.354  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.107  -0.890   1.541  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.434  -0.447   1.508  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        6.110  -0.273   0.290  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        5.409  -0.561  -0.894  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.080  -1.003  -0.867  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.501   0.192   0.254  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        8.491  -0.428  -0.491  0.00  0.00    +0.122 A 
ATOM     16  N   LIG    1        9.779  -0.023  -0.548  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1       10.080   1.057   0.186  0.00  0.00    +0.221 A 
ATOM     18  N   LIG    1        9.224   1.749   0.951  0.00  0.00    -0.243 NA
ATOM     19  C   LIG    1        7.951   1.296   0.962  0.00  0.00    +0.122 A 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.283  -0.451   0.232  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.929   0.930   0.314  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.303   0.862   0.840  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.415   0.840   2.229  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -3.460   0.894   3.002  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -5.677   0.736   2.727  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -5.765   0.721   3.731  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.805   0.534   2.001  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -7.897   0.390   2.540  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.645   0.501   0.526  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.928   0.220  -0.205  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.678  -0.363  -1.902  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.452   0.868  -2.378  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.202   0.753  -1.507  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.417   0.702  -0.000  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7