REMARK  Name = BDB025429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.519   0.035   0.146  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.462   0.570  -0.770  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        2.123   0.000  -0.400  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        1.023   0.193  -1.122  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.014  -0.434  -0.426  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.548  -1.129   0.680  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.309  -0.254  -0.901  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.490   0.225  -2.021  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.877  -0.776   0.747  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.959  -1.120   1.705  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.110  -0.104   1.576  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.433  -0.676   0.027  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.552   0.356   0.059  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.795   0.094  -0.541  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.815   1.047  -0.426  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.590   2.270   0.208  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.345   2.545   0.763  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.092  -1.152  -1.119  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.802  -1.059  -1.843  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.939  -1.923  -1.556  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -3.331   1.592   0.696  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.946  -2.055  -0.410  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        6.074   2.249   0.390  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        6.092   0.555  -0.168  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.981  -0.183   0.704  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.283   0.562  -1.601  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   6  27
ATOM     27  N   LIG    1       -0.112  -1.983   1.504  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.842  -2.592   1.137  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.446  -2.510   2.178  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3