REMARK  Name = BDB028367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.988  -1.574  -0.919  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1       -1.487  -2.444  -1.867  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.868  -2.816  -2.079  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.544  -2.966  -2.675  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.584  -2.387  -2.263  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.377  -1.524  -1.167  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.329  -0.702  -0.449  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.056   0.278  -1.140  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.953   1.105  -0.454  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.143   0.924   0.913  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.114   1.774   1.621  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.783   2.696   0.855  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.457   3.292   1.325  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.600   2.919  -0.475  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        4.309   1.653   2.826  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.430  -0.059   1.609  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.730   2.187  -1.110  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.520  -0.868   0.927  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.529   2.472  -2.596  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.285   1.489  -3.376  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        4.220   1.738  -4.363  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        5.273   1.586  -3.135  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  28
ATOM     23  C   LIG    1       -4.246   1.073   3.081  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.409   0.372   2.045  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.185  -1.016   2.098  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -3.774  -1.865   3.192  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -2.391  -1.623   1.110  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -1.814  -0.875   0.070  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -2.032   0.511   0.028  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1       -2.825   1.121   1.011  0.00  0.00    +0.023 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -1.468   1.338  -1.002  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -1.016   2.029  -1.819  0.00  0.00    -0.191 NA
ENDBRANCH  29  31
ENDBRANCH   1  28
TORSDOF 5