REMARK  Name = BDB036784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527   0.607   0.253  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.364  -0.442   0.338  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1       -0.034  -1.344   0.610  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.163   1.767   0.104  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.799  -0.249   0.416  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.460  -1.531   0.935  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.847  -2.418   1.528  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.814  -1.637   0.722  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.239  -2.491   1.057  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.547  -0.947  -0.209  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.681  -1.308  -0.513  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.903   0.284  -0.800  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.400   0.107  -0.941  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -2.854   2.563   0.028  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -3.038   1.097   0.275  0.00  0.00    -0.020 A 
ATOM     16  C   LIG    1       -1.976   0.192   0.376  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -2.145  -1.148   0.601  0.00  0.00    -0.250 NA
ATOM     18  C   LIG    1       -3.409  -1.597   0.731  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.522  -0.783   0.647  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.332   0.577   0.417  0.00  0.00    +0.007 A 
ENDBRANCH   1  16
TORSDOF 2