REMARK  Name = BDB034972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.399  -2.040   1.579  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.051  -0.780   0.837  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.797  -0.639   0.242  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.565   0.572  -0.444  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.325   0.725  -1.045  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.652  -0.273  -0.972  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        0.324  -1.421  -0.269  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1       -2.465   1.571  -0.545  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.655   1.403   0.043  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.871  -1.621   0.329  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.992   0.251   0.731  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.574   2.438  -0.099  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.939   2.744   0.795  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.105   3.191  -0.596  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.998  -0.108  -1.624  0.00  0.00    +0.072 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.137   0.035  -0.644  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        4.109  -0.963  -0.523  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.136  -0.784   0.391  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        5.260   0.304   1.180  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        4.312   1.256   1.050  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.249   1.171   0.165  0.00  0.00    +0.023 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3