REMARK  Name = BDB049270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.028  -0.201   0.257  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1        1.313   1.034   0.037  0.00  0.00    +0.188 A 
ATOM      3  N   LIG    1       -0.056   1.040   0.118  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -0.409   2.348  -0.060  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        0.662   3.078  -0.287  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.776  -0.129   0.384  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.025  -1.232   0.611  0.00  0.00    +0.153 A 
ATOM      8  N   LIG    1        1.758   2.246  -0.211  0.00  0.00    -0.127 NA
ATOM      9  N   LIG    1        1.357  -1.291   0.549  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.316  -0.504   0.071  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.570  -1.414   0.817  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.179  -1.300   0.868  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.520  -0.270   0.178  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.279   0.631  -0.579  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.672   0.515  -0.627  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1       -2.171  -0.112   0.442  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.523  -0.988   0.838  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.989   0.182  -0.744  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.438  -0.085  -0.531  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1       -4.788  -1.389  -0.324  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1       -6.135  -1.413  -0.147  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -6.655  -0.143  -0.234  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.558   0.718  -0.481  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4