REMARK  Name = BDB018239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.486   0.890  -0.868  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        1.242   0.810  -2.198  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.104   0.113  -2.269  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.392  -0.238  -0.998  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.530   0.269  -0.110  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.566  -0.987  -0.664  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.643  -0.446   0.204  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.614  -1.292   0.601  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1       -3.699  -2.695   0.132  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -4.615  -3.407   0.535  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -2.717  -3.090  -0.762  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -2.719  -4.455  -1.262  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.673  -2.256  -1.110  0.00  0.00    +0.099 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -2.614   0.897   0.607  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1       -3.644   1.570   1.366  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1       -3.062   2.881   0.838  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -2.510   2.020  -0.300  0.00  0.00    +0.106 C 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1        2.222   2.954   0.260  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.657   1.635  -0.388  0.00  0.00    +0.134 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.554   0.741   0.459  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        3.610   0.818   1.859  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.443  -0.035   2.588  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.230  -0.978   1.931  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.183  -1.074   0.544  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.351  -0.223  -0.187  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4