REMARK  Name = BDB035253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.132   2.625   0.731  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.468   3.634   1.577  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.835   2.984  -0.482  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  12
ATOM      4  O   LIG    1        4.336  -2.402  -2.772  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1        3.755  -1.623  -2.051  0.00  0.00    +0.289 C 
ATOM      6  C   LIG    1        2.455  -0.839  -2.388  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1        1.815  -0.871  -3.412  0.00  0.00    -0.282 OA
ATOM      8  C   LIG    1        2.170  -0.041  -1.193  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.176  -0.316  -0.268  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        3.198   0.294   0.970  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.168   1.197   1.262  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        1.145   1.455   0.318  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1        1.141   0.842  -0.940  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1        4.092  -1.235  -0.768  0.00  0.00    -0.278 N 
ATOM     15  H   LIG    1        4.909  -1.588  -0.291  0.00  0.00    +0.155 HD
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1       -1.166   1.739   1.718  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -0.980   1.901   2.707  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.643   0.455   1.331  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.337   0.201   0.134  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -2.805  -1.079  -0.222  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -3.448  -0.930  -1.492  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -3.366   0.390  -1.864  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -4.198  -2.139  -2.425  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -2.547  -2.125   0.692  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1       -3.088  -3.699   0.305  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -1.872  -1.897   1.892  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1       -2.711   1.064  -0.876  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -2.473   2.053  -0.894  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -1.432  -0.616   2.207  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3