REMARK  Name = BDB027644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.686  -0.045  -0.800  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.866  -0.451  -0.311  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.855  -1.510   0.512  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.684  -2.170   0.890  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.765  -3.296   1.743  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.004  -3.708   2.198  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.148  -3.085   1.869  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.496  -1.636   0.364  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -4.035  -2.016   1.037  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.502  -0.599  -0.492  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -0.590   2.486  -3.369  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -1.654   3.303  -3.495  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -2.735   3.009  -2.745  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -2.794   1.938  -1.867  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.679   1.099  -1.728  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -0.554   1.397  -2.513  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   8  17
ATOM     17  N   LIG    1        0.741  -2.220   0.709  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.804  -2.325   1.718  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.940  -1.595   0.151  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.326  -0.334   0.927  0.00  0.00    +0.026 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.470   0.406   0.237  0.00  0.00    +0.079 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.885   1.596   1.016  0.00  0.00    +0.149 A 
ATOM     23  N   LIG    1        3.291   2.822   0.917  0.00  0.00    -0.243 N 
ATOM     24  H   LIG    1        2.517   3.132   0.343  0.00  0.00    +0.192 HD
ATOM     25  N   LIG    1        3.884   3.684   1.751  0.00  0.00    -0.047 NA
ATOM     26  N   LIG    1        4.835   2.984   2.354  0.00  0.00    -0.023 NA
ATOM     27  N   LIG    1        4.847   1.684   1.909  0.00  0.00    -0.114 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 6