REMARK  Name = BDB057885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.483   0.184   0.266  0.00  0.00    -0.248 N 
ATOM      2  N   LIG    1        0.417   1.307   0.999  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.655   1.762   1.138  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        2.510   0.908   0.483  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        1.768  -0.110  -0.082  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.010  -0.455   0.497  0.00  0.00    +0.215 C 
ATOM      7  N   LIG    1       -3.641  -0.319   0.273  0.00  0.00    -0.301 N 
ATOM      8  C   LIG    1       -3.033  -0.294  -1.057  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -1.608   0.238  -1.037  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -0.725  -0.559  -0.065  0.00  0.00    +0.112 C 
ATOM     11  C   LIG    1       -1.475  -1.026   1.195  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -2.745  -0.217   1.426  0.00  0.00    +0.110 C 
ATOM     13  O   LIG    1       -5.491  -0.466   1.630  0.00  0.00    -0.276 OA
BRANCH   6  15
ATOM     14  C   LIG    1       -7.342  -0.868  -0.389  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -5.889  -0.591  -0.738  0.00  0.00    +0.092 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   4  16
ATOM     16  C   LIG    1        3.954   1.091   0.423  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1        4.439   2.197   1.039  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        5.770   2.413   1.014  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        6.669   1.570   0.394  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        6.161   0.437  -0.236  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        4.786   0.189  -0.225  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        7.037  -0.532  -0.931  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.662  -1.537  -1.506  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        8.336  -0.196  -0.873  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        8.793  -0.912  -1.363  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 5