REMARK  Name = BDB025422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.155   0.216   0.495  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        3.709  -0.844  -0.440  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        2.223  -0.945  -0.394  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        1.331  -1.955  -0.784  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        0.062  -1.614  -0.586  0.00  0.00    -0.149 NA
ATOM      6  N   LIG    1        0.106  -0.356  -0.055  0.00  0.00    -0.202 N 
ATOM      7  C   LIG    1       -1.076   0.325   0.306  0.00  0.00    +0.255 C 
ATOM      8  O   LIG    1       -0.991   1.446   0.798  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.409   0.073   0.054  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        1.909   1.364   0.596  0.00  0.00    +0.071 C 
ATOM     11  C   LIG    1        3.426   1.489   0.286  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.363  -0.452   0.058  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.568   0.446  -0.215  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.816   0.160   0.370  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.895   1.022   0.127  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.773   2.099  -0.752  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.560   2.339  -1.386  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -4.984  -0.887   1.291  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.942  -1.224   1.312  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.995  -1.950   1.217  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -3.464   1.518  -1.122  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.602  -1.355   1.277  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   4  23
ATOM     23  N   LIG    1        1.693  -3.137  -1.297  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        2.600  -3.527  -1.074  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        0.964  -3.842  -1.331  0.00  0.00    +0.144 HD
ENDBRANCH   4  23
BRANCH   1  27
ATOM     26  C   LIG    1        6.249   0.928  -0.771  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.612   0.381   0.503  0.00  0.00    +0.081 C 
ENDBRANCH   1  27
TORSDOF 3