REMARK  Name = BDB035264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.787  -0.815  -3.040  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.928   0.305  -3.945  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.527  -2.153  -3.524  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  O   LIG    1        1.319  -3.047   1.294  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        2.007  -2.041   1.171  0.00  0.00    +0.244 C 
ATOM      6  C   LIG    1        1.746  -1.060   0.085  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        2.361   0.206   0.106  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1        2.021   1.152  -0.871  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.080   0.839  -1.855  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.486  -0.426  -1.864  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        3.317   0.554   1.220  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.993  -0.707   1.753  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        0.836  -1.391  -0.918  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1        3.026  -1.744   2.042  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        3.255  -2.482   2.697  0.00  0.00    +0.149 HD
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1       -2.167  -0.920  -2.067  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -2.378  -1.871  -1.772  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.496   0.165  -1.211  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.351   0.068   0.185  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.604   1.151   1.050  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -2.328   0.678   2.372  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -1.925  -0.633   2.285  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -2.443   1.544   3.833  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -3.028   2.358   0.448  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1       -3.346   3.701   1.456  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -3.179   2.474  -0.935  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1       -1.948  -0.994   0.969  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -1.680  -1.906   0.624  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -2.908   1.385  -1.754  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3