REMARK  Name = BDB027882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.883   0.289  -0.099  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.762   0.535  -1.346  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.368   0.455  -2.508  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -3.062   0.922  -1.102  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -3.626   1.105  -1.921  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.680   1.112   0.108  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.840   1.508   0.172  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.839   0.877   1.337  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -1.760  -0.160   1.073  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.106  -1.869  -1.168  0.00  0.00    +0.130 C 
ATOM     11  N   LIG    1        0.181  -0.721  -0.309  0.00  0.00    -0.321 N 
BRANCH  11  12
ATOM     12  C   LIG    1        1.508  -0.375  -0.049  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.849   0.455   1.034  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.176   0.802   1.317  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.207   0.321   0.521  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.907  -0.512  -0.550  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.577  -0.856  -0.824  0.00  0.00    +0.023 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 2