REMARK  Name = BDB035251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.089   0.652   2.211  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -1.336   1.634   2.306  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.705  -0.132   1.202  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.865   0.353  -0.107  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -2.419  -0.425  -1.141  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.402   0.400  -2.310  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -1.849   1.613  -1.973  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1       -2.946   0.002  -3.872  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1       -2.820  -1.738  -0.801  0.00  0.00    +0.052 A 
ATOM     10 CL   LIG    1       -3.497  -2.722  -2.024  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -2.663  -2.240   0.492  0.00  0.00    +0.022 A 
ATOM     12  N   LIG    1       -1.525   1.574  -0.648  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1       -1.082   2.327  -0.140  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1       -2.103  -1.442   1.482  0.00  0.00    +0.028 A 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  O   LIG    1        0.896   1.393   3.547  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1        0.487   0.296   2.696  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.560  -1.077   3.143  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.402   0.433   1.172  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        1.553  -0.708   0.364  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.241  -0.568  -0.854  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        2.762   0.678  -1.187  0.00  0.00    +0.135 A 
ATOM     22  O   LIG    1        3.387   0.620  -2.395  0.00  0.00    -0.463 OA
ATOM     23  C   LIG    1        3.269  -0.658  -2.840  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1        2.655   1.815  -0.388  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        2.576  -1.426  -1.933  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        1.959   1.669   0.816  0.00  0.00    +0.032 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3