REMARK  Name = BDB049274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212  -0.029  -0.544  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.031  -1.034  -1.131  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.390  -0.870  -1.032  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.939  -1.913  -1.716  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.988  -2.705  -2.158  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.985   0.206  -0.367  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.238   1.136   0.161  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.781  -2.149  -1.790  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.867   0.985   0.068  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.102  -0.118  -0.531  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.357  -1.258  -0.205  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.958  -1.223  -0.210  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.270  -0.047  -0.537  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.018   1.089  -0.881  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.417   1.054  -0.875  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.617  -0.158  -0.529  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.065   1.567   1.149  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.292   0.189   0.730  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.010  -0.746   1.813  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.357   0.312  -0.285  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        4.564   1.269   0.007  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.078  -0.576   0.634  0.00  0.00    +0.181 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.553  -0.447   0.553  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1        7.241  -0.673   1.705  0.00  0.00    -0.358 OA
ATOM     25  N   LIG    1        8.597  -0.521   1.468  0.00  0.00    -0.086 NA
ATOM     26  C   LIG    1        8.698  -0.210   0.174  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1        7.442  -0.150  -0.454  0.00  0.00    +0.069 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6