REMARK  Name = BDB035263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.247   0.578   3.368  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.271  -0.353   4.476  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.181   1.948   3.539  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  O   LIG    1        2.744   2.163  -0.809  0.00  0.00    -0.245 OA
ATOM      5  C   LIG    1        2.672   0.952  -0.964  0.00  0.00    +0.340 C 
ATOM      6  C   LIG    1        2.043   0.078   0.064  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.194  -1.317   0.005  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        1.645  -2.123   1.010  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.911  -1.544   2.047  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.734  -0.157   2.077  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1        2.995  -1.907  -1.118  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1        2.803  -1.029  -2.342  0.00  0.00    +0.237 C 
ATOM     13  C   LIG    1        1.323   0.662   1.109  0.00  0.00    +0.044 A 
ATOM     14  O   LIG    1        3.176   0.331  -2.063  0.00  0.00    -0.461 OA
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.805   0.552   2.715  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1       -2.359  -0.242   3.026  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.027   1.103   1.427  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -2.238   0.273   0.312  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.367   0.776  -0.995  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -2.541  -0.363  -1.843  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -2.513  -1.492  -1.058  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1       -2.737  -0.385  -3.533  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -2.287   2.180  -1.145  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1       -2.443   2.838  -2.714  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.077   3.022  -0.050  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1       -2.332  -1.100   0.235  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -2.268  -1.726   1.026  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -1.942   2.482   1.224  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3