REMARK  Name = BDB025355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.985   0.537  -0.175  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        1.500   0.326  -0.158  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1        1.193  -0.899   0.632  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.132  -1.854   0.986  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.437  -2.797   1.740  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.161  -2.481   1.869  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        3.563  -1.755   0.605  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -0.026  -1.323   1.161  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.356  -0.820   1.118  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -2.213  -1.321   1.844  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.735  -0.721  -0.520  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.644   0.332   0.177  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -2.971   0.146  -0.546  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -4.085   0.943  -0.229  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.268   0.780  -0.964  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.375  -0.202  -1.950  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -4.283  -1.016  -2.229  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.405  -2.226  -3.446  0.00  0.00    -0.084 Cl
ATOM     19  N   LIG    1       -4.001   1.995   0.695  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.905   2.198   1.116  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -2.932   1.890   1.675  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.085  -0.846  -1.540  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -1.607   1.647   0.967  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1        5.011   2.324  -0.394  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1        3.421   1.912  -1.083  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        3.589   1.492  -2.456  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        2.500   2.971  -0.730  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   5  28
ATOM     28  N   LIG    1        1.981  -3.887   2.290  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        2.961  -3.898   2.538  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.397  -4.359   2.974  0.00  0.00    +0.144 HD
ENDBRANCH   5  28
TORSDOF 3