REMARK  Name = BDB031580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.645   0.190  -0.105  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.171  -0.255   0.672  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.025   0.379  -1.287  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        0.520   0.853  -2.280  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.412  -0.072  -1.290  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -2.379  -0.134  -0.226  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.553  -0.673  -0.763  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.709  -0.894  -0.004  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -4.679  -0.542   1.347  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.539   0.020   1.911  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -3.326  -0.898  -2.100  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -4.011  -1.270  -2.743  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -2.390   0.235   1.139  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.055  -0.523  -2.431  0.00  0.00    +0.096 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1        5.781   0.223   1.694  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.681   0.419   1.188  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        3.615   0.819   1.953  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        3.795   0.839   2.948  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        2.292   0.711   1.600  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        1.408   0.668   2.455  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.006   0.653   0.096  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        3.030  -0.263  -0.566  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        4.431   0.266  -0.294  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2