REMARK  Name = BDB002189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.455   0.484   0.277  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1        1.091  -0.450   0.181  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        0.592   1.512   0.577  0.00  0.00    +0.243 C 
ATOM      4  O   LIG    1        0.860   2.672   0.855  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        6.146  -0.603  -0.366  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        4.927   0.193  -0.122  0.00  0.00    +0.129 A 
ATOM      7  N   LIG    1        3.670  -0.346  -0.072  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1        3.430  -1.316  -0.191  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1        2.808   0.689   0.173  0.00  0.00    +0.221 A 
ATOM     10  N   LIG    1        3.509   1.796   0.265  0.00  0.00    -0.113 NA
ATOM     11  N   LIG    1        4.839   1.487   0.080  0.00  0.00    -0.133 NA
ENDBRANCH   1   9
BRANCH   3  12
ATOM     12  C   LIG    1       -0.834   1.088   0.634  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.398   0.268  -0.267  0.00  0.00    +0.013 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.815  -0.122  -0.235  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -3.830   0.771   0.133  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -5.168   0.370   0.124  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.507  -0.925  -0.263  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.509  -1.817  -0.648  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.171  -1.416  -0.640  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH   3  12
TORSDOF 3