REMARK  Name = BDB050027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.456   0.449  -1.006  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.900  -0.475  -0.334  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.238  -1.672  -0.162  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.498  -2.224   0.650  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.148  -1.814  -0.580  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.045  -1.595   0.633  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        1.641  -1.812   1.778  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.453  -1.150   0.424  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.175  -0.688   1.531  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.499  -0.260   1.388  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        6.138  -0.290   0.139  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        5.406  -0.765  -0.963  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.078  -1.193  -0.826  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.528   0.161  -0.012  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        8.499  -0.633  -0.612  0.00  0.00    +0.143 A 
ATOM     16  N   LIG    1        9.786  -0.251  -0.774  0.00  0.00    -0.157 NA
ATOM     17  N   LIG    1       10.175   0.971  -0.331  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        9.271   1.776   0.260  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        7.949   1.413   0.440  0.00  0.00    +0.031 A 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.247  -0.439   0.351  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.893   0.939   0.219  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.250   0.965   0.791  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1       -4.318   1.179   2.167  0.00  0.00    +0.330 A 
ATOM     24  O   LIG    1       -3.340   1.361   2.889  0.00  0.00    -0.246 OA
ATOM     25  N   LIG    1       -5.564   1.165   2.715  0.00  0.00    -0.275 N 
ATOM     26  H   LIG    1       -5.621   1.320   3.709  0.00  0.00    +0.173 HD
ATOM     27  C   LIG    1       -6.714   0.848   2.068  0.00  0.00    +0.258 A 
ATOM     28  O   LIG    1       -7.789   0.802   2.657  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.600   0.565   0.616  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.905   0.168  -0.016  0.00  0.00    +0.111 C 
ATOM     31  S   LIG    1       -7.707  -0.695  -1.597  0.00  0.00    -0.155 S 
ATOM     32  C   LIG    1       -6.498   0.433  -2.313  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -5.221   0.463  -1.474  0.00  0.00    +0.064 C 
ATOM     34  C   LIG    1       -5.390   0.669   0.026  0.00  0.00    +0.033 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7