REMARK  Name = BDB035267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.146   1.899  -2.511  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.789   3.196  -2.521  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.037   1.135  -3.724  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  11
ATOM      4  O   LIG    1        4.336  -1.704   3.290  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.769  -0.990   2.471  0.00  0.00    +0.249 A 
ATOM      6  N   LIG    1        3.021  -1.500   1.444  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        2.967  -2.509   1.397  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        2.359  -0.706   0.499  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        2.450   0.693   0.594  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        1.782   1.491  -0.336  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        1.024   0.881  -1.343  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1        0.959  -0.513  -1.453  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.247   1.281   1.671  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.623  -1.310  -0.520  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.867   0.488   2.554  0.00  0.00    +0.071 A 
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.343   2.129  -1.755  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -1.405   2.987  -1.213  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.125   1.004  -1.388  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.239   0.602  -0.046  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.960  -0.542   0.344  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -2.833  -0.624   1.767  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -2.059   0.430   2.192  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -3.492  -1.801   2.804  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -3.580  -1.283  -0.689  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1       -4.466  -2.681  -0.265  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -3.474  -0.903  -2.028  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1       -1.706   1.161   1.096  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -1.125   1.987   1.115  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -2.745   0.230  -2.371  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3