REMARK  Name = BDB035271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.376   2.666  -0.405  0.00  0.00    +0.074 S 
ATOM      2  O   LIG    1       -1.369   2.977   0.603  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.416   3.710  -1.016  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  11
ATOM      4  O   LIG    1        5.135  -2.537   1.898  0.00  0.00    -0.272 OA
ATOM      5  C   LIG    1        4.432  -1.662   1.399  0.00  0.00    +0.256 C 
ATOM      6  N   LIG    1        3.221  -1.330   1.923  0.00  0.00    -0.265 N 
ATOM      7  H   LIG    1        2.892  -1.800   2.754  0.00  0.00    +0.156 HD
ATOM      8  C   LIG    1        2.407  -0.367   1.355  0.00  0.00    +0.167 A 
ATOM      9  C   LIG    1        2.795   0.254   0.169  0.00  0.00    +0.163 A 
ATOM     10  C   LIG    1        1.941   1.196  -0.393  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        0.737   1.474   0.251  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        0.438   0.827   1.437  0.00  0.00    +0.142 A 
ATOM     13  O   LIG    1        3.944  -0.019  -0.512  0.00  0.00    -0.479 OA
ATOM     14  N   LIG    1        1.252  -0.101   1.998  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        4.871  -0.842   0.183  0.00  0.00    +0.325 C 
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.132   1.851  -1.670  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -0.682   2.041  -2.566  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.698   0.559  -1.473  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.707   0.286  -0.533  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -3.253  -0.998  -0.350  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.239  -0.870   0.681  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -4.272   0.445   1.082  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -5.223  -2.093   1.338  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -2.734  -2.030  -1.165  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1       -3.359  -3.609  -0.977  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -1.738  -1.782  -2.111  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1       -3.360   1.133   0.339  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -3.137   2.120   0.442  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -1.230  -0.497  -2.263  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3