REMARK  Name = BDB057884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250   1.133   1.030  0.00  0.00    +0.126 C 
ATOM      2  C   LIG    1       -0.238  -0.229   0.525  0.00  0.00    +0.134 C 
ATOM      3  N   LIG    1       -1.525  -0.612   1.118  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1       -2.390  -1.400   0.364  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1       -2.046  -1.870  -0.721  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -1.806  -0.148   2.478  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1       -0.528   0.137   3.258  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1        0.360   1.172   2.565  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.493   1.746  -0.396  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1        2.826   2.934  -0.569  0.00  0.00    -0.128 NA
ATOM     11  N   LIG    1        1.602   2.805  -0.074  0.00  0.00    -0.065 NA
ATOM     12  N   LIG    1        1.486   1.553   0.395  0.00  0.00    -0.247 N 
ATOM     13  C   LIG    1        2.647   0.853   0.231  0.00  0.00    +0.140 A 
BRANCH   9  16
ATOM     14  C   LIG    1        6.816   0.151  -1.092  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        5.493   0.287  -0.663  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.869   1.517  -0.816  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1        5.507   2.580  -1.365  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        6.784   2.421  -1.772  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        7.479   1.236  -1.659  0.00  0.00    +0.035 A 
BRANCH  14  21
ATOM     20  O   LIG    1        6.960  -2.148  -0.417  0.00  0.00    -0.245 OA
ATOM     21  C   LIG    1        7.471  -1.165  -0.920  0.00  0.00    +0.337 C 
BRANCH  21  22
ATOM     22  O   LIG    1        8.731  -1.186  -1.387  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        9.036  -2.102  -1.215  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -3.755  -1.696   0.969  0.00  0.00    +0.100 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.776  -2.184  -0.061  0.00  0.00    +0.044 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.378  -1.046  -0.853  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -4.813  -0.650  -2.072  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -5.356   0.416  -2.790  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.467   1.097  -2.298  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.037   0.712  -1.085  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.494  -0.353  -0.365  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7