REMARK  Name = BDB031231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.051   0.443  -0.431  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.027  -0.550  -0.613  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.130   1.138  -0.264  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.185   2.345  -0.062  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.386   0.348  -0.373  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.519   0.997  -0.891  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        4.670   0.252  -0.980  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        4.730  -1.079  -0.571  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        6.024  -1.535  -0.789  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.396  -2.450  -0.593  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.785  -0.491  -1.336  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.960  -0.536  -1.650  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.644  -1.736  -0.044  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1        5.927   0.613  -1.450  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        6.213   1.510  -1.809  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.454  -1.003   0.059  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     17  C   LIG    1       -5.606  -1.692   1.051  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -5.000  -0.411   1.568  0.00  0.00    +0.212 C 
ATOM     19  N   LIG    1       -3.846   0.040   0.941  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1       -3.192   1.239   1.465  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -1.689   1.195   1.238  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -1.347   1.093  -0.255  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1       -2.438   0.383  -1.069  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.241  -0.601  -0.226  0.00  0.00    +0.109 C 
ATOM     25  O   LIG    1       -5.528   0.190   2.503  0.00  0.00    -0.276 OA
ENDBRANCH   1  22
TORSDOF 2