REMARK  Name = BDB028450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.875  -0.192  -3.717  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.614   0.039  -3.049  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.359   0.032  -1.693  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.999   0.306  -1.584  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.452   0.440  -2.913  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.477   0.272  -3.804  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.748   0.380  -0.345  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.856  -0.459  -0.154  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.589  -0.398   1.038  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.221   0.513   2.025  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.011   0.586   3.265  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.085  -0.264   3.350  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.644  -0.224   4.196  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.465  -1.174   2.412  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.717   1.365   4.165  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.123   1.360   1.839  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.766  -1.261   1.317  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.389   1.293   0.654  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.207  -2.301   0.291  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.912  -1.631  -0.802  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.301  -2.338  -1.426  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -6.722  -1.144  -0.409  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.358  -0.274  -0.664  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        2.340   0.649  -0.257  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1        3.261   0.277   0.732  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.189  -0.976   1.347  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.213  -1.886   0.950  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        1.306  -1.538  -0.051  0.00  0.00    +0.011 A 
BRANCH  24  29
ATOM     29  C   LIG    1        2.408   1.961  -0.834  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        2.465   3.011  -1.326  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  25  31
ATOM     31  O   LIG    1        4.206   1.177   1.164  0.00  0.00    -0.488 OA
BRANCH  31  32
ATOM     32  C   LIG    1        5.541   0.816   0.743  0.00  0.00    +0.174 C 
ATOM     33  C   LIG    1        6.096   1.566  -0.438  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        6.574   1.891   0.946  0.00  0.00    +0.048 C 
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH   3  23
TORSDOF 7