REMARK  Name = BDB033499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.142   1.551  -0.636  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -1.700   0.224  -0.892  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.114  -0.247   0.287  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.552  -1.527   0.387  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.589  -2.357  -0.739  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.176  -1.917  -1.924  0.00  0.00    +0.041 A 
ATOM      7  N   LIG    1       -1.227   0.755   1.226  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.914   0.672   2.186  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.726  -0.637  -2.006  0.00  0.00    +0.134 A 
ATOM     10  F   LIG    1       -2.278  -0.238  -3.160  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.835   1.852   0.676  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -3.326   3.182  -2.264  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1       -2.793   2.440  -1.548  0.00  0.00    +0.101 C 
ENDBRANCH   1  13
BRANCH   4  14
ATOM     14  N   LIG    1        0.125  -1.914   1.586  0.00  0.00    -0.212 N 
ATOM     15  H   LIG    1       -0.059  -2.891   1.830  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.839  -1.779   1.516  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        2.299  -1.893   2.886  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        2.304  -2.710   0.508  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.269  -0.144   0.941  0.00  0.00    +0.237 A 
ATOM     20  S   LIG    1        2.682   1.046   2.098  0.00  0.00    -0.054 S 
ATOM     21  C   LIG    1        2.833   2.194   0.833  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        2.542   1.600  -0.378  0.00  0.00    +0.139 A 
ATOM     23 CL   LIG    1        2.551   2.418  -1.878  0.00  0.00    -0.061 Cl
ATOM     24  N   LIG    1        2.214   0.262  -0.314  0.00  0.00    -0.209 NA
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 4