REMARK  Name = BDB045974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.548  -1.913  -1.556  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1        1.236  -0.865  -2.141  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.755   0.018  -2.826  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.658  -1.000  -1.764  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.737  -2.139  -0.938  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.942  -2.568  -0.404  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        5.087  -1.840  -0.708  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.010  -0.704  -1.532  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.788  -0.254  -2.078  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        1.394  -2.760  -0.747  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.867   0.969  -2.928  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        4.955   1.451  -3.229  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.731   1.572  -3.368  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        2.829   2.356  -3.998  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        1.799   1.174  -3.267  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.891  -2.099  -1.636  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.637  -1.587  -0.403  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.574  -0.058  -0.276  0.00  0.00    +0.086 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -2.737  -0.774   2.954  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -1.769   0.111   2.164  0.00  0.00    +0.054 C 
ATOM     21  N   LIG    1       -2.387   0.437   0.857  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1       -2.718   1.864   0.677  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -4.017   2.222   1.416  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.562   2.825   1.007  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -0.672   2.378   2.164  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -1.335   1.314   3.019  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5