REMARK  Name = BDB003086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.201   0.065  -0.771  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.839   0.223   0.014  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.443  -1.061  -1.532  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.927  -1.252  -2.631  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.432   1.185  -1.268  0.00  0.00    +0.105 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.078   0.939  -1.242  0.00  0.00    +0.034 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.609   0.792   0.192  0.00  0.00    +0.086 C 
BRANCH   7  11
ATOM      8  N   LIG    1        5.890   0.452   0.372  0.00  0.00    -0.300 NA
ATOM      9  C   LIG    1        5.118  -0.749  -0.013  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1        3.631  -0.497  -0.391  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        3.058   0.636   0.334  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1        3.826   1.870   0.109  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        5.320   1.651  -0.256  0.00  0.00    +0.100 C 
BRANCH   8  15
ATOM     14  C   LIG    1        7.979  -0.785   0.918  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        7.324   0.323   0.101  0.00  0.00    +0.081 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  16
ATOM     16  C   LIG    1       -2.333  -2.095  -0.879  0.00  0.00    +0.239 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.607  -1.534  -0.472  0.00  0.00    -0.262 N 
ATOM     18  N   LIG    1       -3.661  -0.709   0.602  0.00  0.00    -0.176 NA
ATOM     19  C   LIG    1       -4.957  -0.400   0.687  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -5.529   0.473   1.749  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -6.954   0.923   1.377  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -7.803  -0.234   0.817  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -7.195  -0.833  -0.466  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -5.729  -1.022  -0.321  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1       -4.824  -1.748  -1.058  0.00  0.00    +0.112 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7