REMARK  Name = BDB045574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.455   0.095  -0.366  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.164  -0.294   0.044  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.024  -1.411   0.861  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.673  -1.514   1.072  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.225  -2.211   1.645  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.033  -0.497   0.400  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.101  -2.181   1.308  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.376  -1.784   0.894  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.924   0.257  -0.222  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.554  -0.668   0.072  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.419  -0.283   0.402  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        1.923   0.955  -0.034  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        3.289   1.151  -0.028  0.00  0.00    +0.167 A 
ATOM     14  O   LIG    1        3.931   2.286  -0.413  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.306   1.907  -0.196  0.00  0.00    +0.466 C 
ATOM     16  O   LIG    1        5.457   0.566   0.316  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1        4.158   0.173   0.388  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        3.711  -1.056   0.817  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        2.328  -1.284   0.821  0.00  0.00    +0.015 A 
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -2.593   1.976  -1.646  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.654   1.700  -1.365  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -2.720   2.779  -2.244  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.687   1.270  -1.237  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.816   1.600  -1.581  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 2