REMARK  Name = BDB002587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.042  -0.580  -0.498  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.236  -1.948  -0.456  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1        0.511  -2.821  -0.892  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -1.511  -2.344   0.163  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -2.335  -1.337   0.652  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -3.546  -1.690   1.252  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -3.924  -3.031   1.361  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.090  -4.033   0.868  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -2.000   0.016   0.557  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -1.879  -3.692   0.267  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.876   0.344   0.001  0.00  0.00    +0.144 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -0.578   1.790  -0.099  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -0.238   2.497   1.058  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.021   3.865   0.975  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.080   4.521  -0.254  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.450   3.816  -1.401  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.710   2.448  -1.325  0.00  0.00    +0.011 A 
ENDBRANCH  11  12
BRANCH   1  18
ATOM     18  C   LIG    1        1.354  -0.196  -1.041  0.00  0.00    +0.130 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.666   0.679  -0.584  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        2.420   0.055   0.048  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        2.804  -1.224   0.794  0.00  0.00    +0.009 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3