REMARK  Name = BDB035270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.419   1.230   2.951  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.612   0.601   4.240  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.905   2.565   2.677  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  O   LIG    1        3.628  -2.770  -3.183  0.00  0.00    -0.226 OA
ATOM      5  C   LIG    1        3.123  -2.007  -2.367  0.00  0.00    +0.406 C 
ATOM      6  O   LIG    1        2.522  -2.475  -1.197  0.00  0.00    -0.411 OA
ATOM      7  C   LIG    1        2.060  -1.571  -0.226  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        1.919  -0.220  -0.529  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        1.435   0.647   0.455  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.091   0.137   1.715  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        1.263  -1.220   2.016  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        2.215   0.230  -1.917  0.00  0.00    +0.146 C 
ATOM     13  C   LIG    1        1.746  -2.082   1.033  0.00  0.00    +0.048 A 
ATOM     14  N   LIG    1        3.145  -0.653  -2.561  0.00  0.00    -0.277 N 
ATOM     15  H   LIG    1        3.511  -0.394  -3.467  0.00  0.00    +0.152 HD
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.240   1.157   2.642  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -1.724   0.446   3.183  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.723   1.512   1.357  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.115   0.535   0.425  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.519   0.856  -0.884  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -2.812  -0.389  -1.525  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -2.581  -1.402  -0.624  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -3.341  -0.638  -3.123  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -2.526   2.228  -1.228  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1       -3.002   2.666  -2.809  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -2.139   3.213  -0.317  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1       -2.162  -0.837   0.545  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -1.905  -1.353   1.376  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -1.733   2.852   0.962  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3