REMARK  Name = BDB025380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.171   1.337   0.252  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        2.952   1.727   1.043  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.790   0.847   0.697  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.672   0.797   1.418  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.151  -0.074   0.747  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.542  -0.668  -0.326  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.493  -0.178   1.187  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.799   0.232   2.305  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.742  -0.003  -0.422  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.877  -0.131  -1.370  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.871   1.033  -1.186  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.490  -0.746   0.196  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1       -3.700   0.165   0.016  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.990  -0.373  -0.029  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1       -6.084   0.371  -0.278  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -5.908   1.694  -0.477  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -4.675   2.319  -0.460  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1       -5.221  -1.716   0.215  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1       -6.163  -1.959  -0.076  0.00  0.00    +0.147 HD
ATOM     20  C   LIG    1       -4.139  -2.623  -0.069  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -3.552   1.538  -0.221  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.901  -2.148   0.678  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        6.803   0.757   0.288  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        5.260   0.327   1.067  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        4.951  -1.045   0.733  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        5.349   0.768   2.442  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   6  27
ATOM     27  N   LIG    1        0.111  -1.715  -1.081  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.326  -2.499  -0.599  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.788  -2.100  -1.742  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3