REMARK  Name = BDB018380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.559  -0.309   0.804  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -0.548   0.251   0.054  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        0.570  -0.493   0.306  0.00  0.00    -0.267 N 
ATOM      4  N   LIG    1        0.359  -1.490   1.188  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.939  -1.379   1.484  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.728   0.415  -0.318  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -2.922   0.133   0.880  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.510   0.303   2.083  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -4.816   0.737   2.226  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.348   0.905   3.570  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.616   1.042   1.135  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -6.772   1.449   1.197  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.995   0.846  -0.198  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -3.077   0.177  -1.512  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.857   0.047  -3.879  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.789   0.383  -2.730  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        1.890  -0.297  -0.275  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1        2.966  -0.126   0.800  0.00  0.00    +0.135 C 
ATOM     19  N   LIG    1        4.276   0.262   0.173  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        4.583  -0.439  -1.108  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        3.757  -1.706  -1.281  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        2.256  -1.418  -1.262  0.00  0.00    +0.029 C 
BRANCH  19  23
ATOM     23  S   LIG    1        5.554   0.386   1.296  0.00  0.00    +0.029 S 
ATOM     24  O   LIG    1        6.184  -0.912   1.391  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        5.048   1.066   2.469  0.00  0.00    -0.158 OA
ATOM     26  C   LIG    1        6.658   1.507   0.461  0.00  0.00    +0.215 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 5