REMARK  Name = BDB025414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.959   0.466   1.000  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.414   0.272   0.717  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -1.494   1.106   1.048  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.612   0.535   0.489  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -4.047   0.925   0.519  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -4.783   0.221  -0.560  0.00  0.00    -0.301 NA
ATOM      7  C   LIG    1       -4.509  -1.236  -0.552  0.00  0.00    +0.090 C 
ATOM      8  C   LIG    1       -3.034  -1.553  -0.887  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1       -6.217   0.477  -0.431  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -2.141  -0.635  -0.138  0.00  0.00    +0.071 A 
ATOM     11  N   LIG    1       -0.828  -0.819  -0.002  0.00  0.00    -0.167 NA
ATOM     12  O   LIG    1        1.284   1.526   1.543  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        6.096   1.975  -1.166  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        5.088   1.008  -0.671  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        5.340  -0.339  -0.620  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1        6.203  -0.780  -0.905  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1        4.249  -1.016  -0.121  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.261  -0.069   0.158  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.023  -0.518   0.676  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        1.839  -1.891   0.915  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.848  -2.808   0.626  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.072  -2.387   0.100  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        3.808   1.201  -0.195  0.00  0.00    +0.031 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -1.364   2.233   1.791  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -2.047   2.981   1.712  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -0.413   2.587   1.956  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2