REMARK  Name = BDB032559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.810  -0.400   0.456  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.219   0.110  -0.667  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -1.723   0.411  -1.732  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.200   0.270  -0.359  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        0.386  -0.113   0.958  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        1.624  -0.068   1.568  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        2.691   0.391   0.794  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        3.915   0.441   1.413  0.00  0.00    -0.485 OA
ATOM      9  C   LIG    1        4.808   1.310   0.708  0.00  0.00    +0.276 C 
ATOM     10  C   LIG    1        4.834   0.983  -0.783  0.00  0.00    +0.236 C 
ATOM     11  O   LIG    1        3.535   1.171  -1.370  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.507   0.760  -0.560  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        1.242   0.715  -1.149  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -0.914  -0.519   1.484  0.00  0.00    +0.255 C 
ATOM     15  O   LIG    1       -1.106  -0.889   2.626  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1       -7.250   0.066  -0.136  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.058  -0.137   0.078  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -5.256   0.846   0.603  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -5.694   1.748   0.738  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.898   0.798   0.827  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -3.294   1.799   1.208  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -3.244  -0.574   0.640  0.00  0.00    +0.171 C 
ATOM     23  C   LIG    1       -3.934  -1.337  -0.488  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.413  -1.483  -0.160  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
BRANCH  10  25
ATOM     25  C   LIG    1        5.349  -0.429  -1.095  0.00  0.00    +0.203 C 
BRANCH  25  26
ATOM     26  O   LIG    1        6.655  -0.641  -0.570  0.00  0.00    -0.391 OA
ATOM     27  H   LIG    1        6.552  -1.037   0.314  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 3