REMARK  Name = BDB062552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.523  -1.165  -1.677  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1        1.775  -0.427  -0.688  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1        3.161  -0.161  -0.275  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1        3.118   0.682   0.840  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1        4.364   1.067   1.403  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        5.510   0.615   0.855  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        5.511  -0.263  -0.309  0.00  0.00    +0.020 A 
ATOM      8  N   LIG    1        1.853   0.965   1.158  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1        4.338  -0.633  -0.849  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        1.035   0.276   0.210  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -0.420   0.353   0.249  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -1.250  -0.310  -0.665  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.653  -0.210  -0.594  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -3.243   0.575   0.421  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -4.642   0.674   0.491  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -5.451   0.006  -0.429  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.872  -0.768  -1.430  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.417   1.239   1.335  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -3.482  -0.876  -1.512  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.025   1.128   1.249  0.00  0.00    +0.012 A 
ENDBRANCH  10  11
TORSDOF 1