REMARK  Name = BDB048508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.592   1.235  -0.249  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.779   0.122  -0.077  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.339   0.408   0.111  0.00  0.00    +0.146 C 
ATOM      4  C   LIG    1        0.476  -0.815  -0.124  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.068  -2.064  -0.314  0.00  0.00    +0.043 A 
ATOM      6  N   LIG    1        0.964  -2.916  -0.529  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        0.940  -3.913  -0.718  0.00  0.00    +0.189 HD
ATOM      8  N   LIG    1        2.158  -2.306  -0.488  0.00  0.00    -0.173 NA
ATOM      9  C   LIG    1       -1.511  -2.377  -0.324  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        1.883  -1.012  -0.232  0.00  0.00    +0.097 A 
ATOM     11  C   LIG    1       -2.265  -1.210   0.351  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.131   2.378  -0.310  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        2.961  -0.026  -0.125  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        2.919   1.000   0.828  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.952   1.938   0.907  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.040   1.856   0.040  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.100   0.833  -0.904  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.067  -0.105  -0.983  0.00  0.00    +0.010 A 
ENDBRANCH  10  13
BRANCH   1  20
ATOM     19  C   LIG    1       -4.750   1.023   1.010  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -4.091   1.037  -0.357  0.00  0.00    +0.092 C 
ENDBRANCH   1  20
TORSDOF 2