REMARK  Name = BDB028254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.018   0.555  -0.271  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.957  -0.468  -0.086  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.327  -1.664   0.521  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.383  -2.675   0.731  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.057  -2.478   0.341  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.334  -1.272  -0.253  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.723  -1.853   0.947  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.093  -2.893   1.479  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.572  -0.798   0.718  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.539  -0.909   1.009  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.626  -0.273  -0.476  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.246   0.382   0.124  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.723  -1.072  -0.652  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.555  -0.049  -0.220  0.00  0.00    -0.298 N 
ATOM     15  C   LIG    1        3.783  -0.238  -0.856  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        4.816   0.703  -0.584  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        4.590   1.718   0.273  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.304   1.873   0.932  0.00  0.00    +0.058 A 
ATOM     19 CL   LIG    1        3.082   3.181   2.023  0.00  0.00    -0.082 Cl
ATOM     20  N   LIG    1        3.775  -1.304  -1.624  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        2.321   0.996   0.677  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        2.517  -1.829  -1.496  0.00  0.00    +0.139 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.682   1.885  -0.940  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -1.936   2.724   0.003  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -1.806   3.646  -0.413  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -2.529   2.884   0.822  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3