REMARK  Name = BDB025389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.782   1.011  -0.244  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.515   0.448  -0.356  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.971  -0.822  -0.767  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.298  -0.884  -0.410  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.321  -1.957  -0.520  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.731  -1.334  -0.548  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.896  -0.377   0.586  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.982   0.810   0.555  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.617   0.393   0.090  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.582   1.227   0.029  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -0.894   2.225  -0.086  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.931   0.679   0.694  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.688   0.960  -0.107  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -4.460   0.311   0.170  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.381  -0.596   1.240  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.261  -1.073   1.415  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -3.237  -1.488   1.255  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.964  -0.681   1.110  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.947   0.031  -0.249  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.301   0.681  -0.552  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -3.417   1.587  -1.622  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.640   2.171  -1.916  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -4.732   3.035  -2.936  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.768   1.876  -1.167  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  S   LIG    1        6.462  -0.081   1.135  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        7.139  -1.356   1.239  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.378   0.817   2.265  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        7.202   0.812  -0.220  0.00  0.00    +0.215 C 
ENDBRANCH   7  25
BRANCH   3  29
ATOM     29  N   LIG    1        0.235  -1.776  -1.398  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        0.727  -2.625  -1.679  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -0.362  -1.487  -2.175  0.00  0.00    +0.144 HD
ENDBRANCH   3  29
TORSDOF 3