REMARK  Name = BDB034979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.073  -2.762   0.488  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.880  -1.285   0.682  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.719  -0.661   0.227  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.630   0.734   0.444  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -0.485   1.371  -0.006  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.536   0.657  -0.622  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1        0.356  -0.703  -0.802  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -2.587   1.466   1.050  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.684   0.832   1.480  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.747  -1.371  -0.391  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -3.876  -0.528   1.312  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.662   1.617   2.082  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.920   1.260   2.995  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.293   2.563   2.137  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  O   LIG    1        1.609   1.362  -1.099  0.00  0.00    -0.436 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.884   0.868  -0.846  0.00  0.00    +0.221 A 
ATOM     17  N   LIG    1        3.077  -0.048   0.130  0.00  0.00    -0.221 NA
ATOM     18  C   LIG    1        4.348  -0.453   0.339  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        5.435   0.018  -0.380  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.209   0.967  -1.372  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        3.910   1.406  -1.609  0.00  0.00    +0.067 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3