REMARK  Name = BDB031576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.069  -0.122   1.046  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.659  -0.636   1.822  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.301   0.815   0.384  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.799   1.651  -0.366  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.205   0.699   0.650  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.955  -0.023  -0.466  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        3.223   0.422  -0.894  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.903  -0.279  -1.904  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.356  -1.431  -2.465  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.122  -1.894  -2.023  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.861   1.672  -0.337  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        3.272   2.093   1.004  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        1.431  -1.201  -1.029  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.753   2.110   0.921  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -6.176  -1.997   0.795  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.123  -1.368   0.850  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.402  -1.303   2.015  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.759  -1.877   2.767  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.083  -0.938   2.125  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.409  -1.270   3.099  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.523  -0.089   0.980  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.050  -0.633  -0.344  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.571  -0.607  -0.332  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2