REMARK  Name = BDB025420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.115   0.839   0.503  0.00  0.00    -0.177 NA
ATOM      2  C   LIG    1        3.488   0.656  -0.851  0.00  0.00    +0.149 C 
ATOM      3  C   LIG    1        2.078   0.207  -0.685  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.555  -0.300   0.518  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.278  -0.668   0.426  0.00  0.00    -0.167 NA
ATOM      6  N   LIG    1       -0.062  -0.384  -0.870  0.00  0.00    -0.185 N 
ATOM      7  C   LIG    1       -1.374  -0.594  -1.349  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.648  -0.273  -2.505  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.352  -0.400   1.766  0.00  0.00    +0.075 C 
ATOM     10  C   LIG    1        1.034   0.137  -1.577  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        3.849  -0.325   1.420  0.00  0.00    +0.115 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.351  -1.201  -0.351  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.379  -0.194   0.149  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.736  -0.555   0.252  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.666   0.405   0.670  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.257   1.677   1.072  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.908   2.009   1.045  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.205  -1.808  -0.174  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -6.060  -2.078   0.306  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.212  -2.867  -0.235  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.973   1.080   0.590  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.021  -2.398  -1.048  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        6.002   2.131   1.947  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        5.748   1.309   0.388  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.549   0.105   0.353  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        5.848   2.309  -0.653  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH  10  27
ATOM     27  N   LIG    1        0.982   0.469  -2.888  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        1.663   1.094  -3.312  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.069   0.496  -3.360  0.00  0.00    +0.144 HD
ENDBRANCH  10  27
TORSDOF 3