REMARK  Name = BDB031649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.541  -3.154   0.462  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.802  -2.062  -0.266  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.942  -0.682   0.049  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.210   0.260  -0.687  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -1.516   1.504  -0.180  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -1.127   2.373  -0.519  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -2.414   1.395   0.845  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.338  -0.104  -1.722  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.202  -1.458  -2.016  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.700   0.057   1.011  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -0.920  -2.417  -1.306  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.419   0.872  -2.415  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.013   1.749  -2.693  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.091   0.937  -2.246  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        2.476   2.206  -2.834  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.686  -0.296  -2.708  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.325   1.091  -0.500  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        2.465  -0.045   0.291  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1        2.398  -1.277  -0.228  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        2.656   0.074   1.665  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        2.723   1.340   2.233  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        2.908   1.461   3.554  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        2.606   2.487   1.452  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        2.411   2.367   0.076  0.00  0.00    +0.034 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -3.602  -0.455   1.996  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -4.335  -0.865   2.797  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 4