REMARK  Name = BDB047087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.134  -0.464   0.073  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -3.533   0.071  -0.140  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -4.525  -0.624  -0.312  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.638   1.472  -0.125  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.582   2.335   0.074  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.095   3.607   0.018  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.470   3.427  -0.217  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.357   1.804   0.271  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.532   2.378   0.450  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.814   2.138  -0.306  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -1.129   0.430   0.280  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.226   0.033   0.514  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        1.298   0.299  -0.306  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        2.398  -0.245   0.306  0.00  0.00    -0.266 N 
ATOM     15  N   LIG    1        2.091  -0.823   1.492  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        0.774  -0.647   1.616  0.00  0.00    +0.144 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.798  -0.260  -0.157  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        3.973   0.425  -1.529  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        4.683   0.483   0.862  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        4.279  -1.718  -0.291  0.00  0.00    +0.036 C 
ENDBRANCH  14  17
ENDBRANCH  11  12
BRANCH   1  22
ATOM     21  C   LIG    1       -2.375  -2.570  -1.338  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -1.968  -1.979   0.016  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -2.684  -2.685   1.171  0.00  0.00    +0.012 C 
ENDBRANCH   1  22
BRANCH   6  24
ATOM     24  C   LIG    1       -2.388   4.830   0.163  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -1.797   5.822   0.281  0.00  0.00    -0.191 NA
ENDBRANCH   6  24
TORSDOF 4