REMARK  Name = BDB025370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.878  -0.551  -0.842  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.532  -0.489  -0.786  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.417  -0.167  -1.824  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.674  -0.170  -1.276  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.009   0.114  -1.855  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.122  -0.397  -0.920  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.881  -0.081   0.529  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.610  -0.682   1.060  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.490  -0.523   0.077  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.210  -0.754   0.376  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.445  -0.288  -1.900  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.507   1.397   1.030  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.204   0.896   0.917  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.975  -0.444   0.557  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.550  -0.964   0.462  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -1.536  -2.490   0.625  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -2.540  -3.140  -0.317  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.875  -2.610  -0.125  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -4.599  -3.266   0.147  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.056  -1.302   0.307  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -5.354  -0.787   0.400  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.580   0.544   0.762  0.00  0.00    +0.005 A 
BRANCH  12  24
ATOM     23  C   LIG    1       -4.762   3.737   0.168  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.745   2.839   1.395  0.00  0.00    +0.032 C 
ENDBRANCH  12  24
ENDBRANCH   1  15
BRANCH   7  25
ATOM     25  S   LIG    1        5.199   1.493   1.067  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        4.875   1.559   2.475  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        4.630   2.426   0.121  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        6.973   1.575   0.939  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        1.023   0.087  -3.094  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        1.608   0.641  -3.713  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.020   0.221  -3.278  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 4