REMARK  Name = BDB025456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.783   0.853  -0.305  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -1.348   0.450  -0.281  0.00  0.00    +0.163 C 
ATOM      3  C   LIG    1       -1.129  -0.820   0.482  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.151  -1.557   1.070  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1       -1.591  -2.716   1.606  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.251  -2.678   1.362  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -3.567  -1.104   1.048  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1        0.084  -1.496   0.695  0.00  0.00    -0.287 N 
ATOM      9  C   LIG    1        1.440  -1.194   0.385  0.00  0.00    +0.239 C 
ATOM     10  O   LIG    1        2.280  -2.063   0.612  0.00  0.00    -0.272 OA
ATOM     11  C   LIG    1       -3.609   0.414   0.855  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.775   0.198  -0.118  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        3.095   0.222  -0.850  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.240   0.796  -0.323  0.00  0.00    +0.021 A 
ATOM     15  N   LIG    1        5.258   0.640  -1.227  0.00  0.00    -0.349 N 
ATOM     16  H   LIG    1        6.214   0.948  -1.119  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1        4.761  -0.007  -2.317  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        5.818  -0.322  -3.607  0.00  0.00    -0.064 Cl
ATOM     19  C   LIG    1        4.362   1.481   0.989  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1        3.142   1.143   1.863  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        3.433  -0.286  -2.134  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        1.817   1.194   1.073  0.00  0.00    +0.018 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     23  C   LIG    1       -4.579   2.379  -1.603  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1       -3.521   0.963  -1.818  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1       -4.354  -0.204  -2.003  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1       -2.515   1.337  -2.789  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  N   LIG    1       -2.227  -3.706   2.243  0.00  0.00    -0.357 N 
ATOM     28  H   LIG    1       -3.232  -3.816   2.148  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1       -1.758  -4.596   2.389  0.00  0.00    +0.142 HD
ENDBRANCH   5  27
TORSDOF 3