REMARK  Name = BDB028428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.422  -0.735  -1.164  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        2.004  -0.609  -1.274  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.628  -1.295  -2.422  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1        0.387  -1.445  -2.917  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -0.555  -0.822  -2.165  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.344  -0.093  -0.988  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        2.755  -1.815  -2.995  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1        2.750  -2.353  -3.849  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1        0.982   0.014  -0.535  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        3.853  -1.498  -2.234  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.456   0.536  -0.257  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -2.600  -0.205   0.098  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -3.662   0.391   0.793  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.590   1.739   1.129  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.718   2.366   1.835  0.00  0.00    +0.272 A 
ATOM     16  N   LIG    1       -5.790   1.552   2.105  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -6.580   1.968   2.589  0.00  0.00    +0.192 HD
ATOM     18  N   LIG    1       -5.888   0.228   1.805  0.00  0.00    -0.174 NA
ATOM     19  O   LIG    1       -4.692   3.549   2.158  0.00  0.00    -0.266 OA
ATOM     20  C   LIG    1       -2.463   2.494   0.790  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -4.890  -0.342   1.194  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -1.405   1.893   0.105  0.00  0.00    +0.009 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.022  -1.831   0.885  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.335  -2.001  -0.536  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -5.529  -2.987  -0.713  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -6.214  -1.516  -0.729  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  11
BRANCH   1  28
ATOM     27  C   LIG    1        5.338   0.701  -0.413  0.00  0.00    +0.060 A 
ATOM     28  C   LIG    1        4.318  -0.227  -0.137  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.139  -0.677   1.181  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        4.965  -0.218   2.209  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.977   0.698   1.932  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.163   1.156   0.627  0.00  0.00    +0.019 A 
BRANCH  27  34
ATOM     33  N   LIG    1        5.772   1.652  -2.790  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        5.561   1.219  -1.734  0.00  0.00    +0.100 C 
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 5