REMARK  Name = BDB055807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788  -1.311   0.842  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.612  -0.784  -0.440  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.671  -0.677  -1.013  0.00  0.00    +0.099 A 
ATOM      4  C   LIG    1        1.783  -1.069  -0.260  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        1.617  -1.588   1.027  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.339  -1.686   1.579  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.846  -0.133  -2.407  0.00  0.00    +0.421 C 
ATOM      8  F   LIG    1        1.400  -1.031  -3.265  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        1.647   0.969  -2.436  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -0.327   0.257  -2.982  0.00  0.00    -0.166 F 
ENDBRANCH   3   7
BRANCH   1  11
ATOM     11  N   LIG    1       -2.046  -1.365   1.513  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1       -2.089  -1.827   2.422  0.00  0.00    +0.174 HD
BRANCH  11  14
ATOM     13  O   LIG    1       -3.306  -2.211  -0.517  0.00  0.00    -0.150 OA
ATOM     14  S   LIG    1       -3.525  -1.485   0.714  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -4.458  -1.934   1.724  0.00  0.00    -0.150 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.977   0.186   0.327  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1       -5.025   0.441  -0.565  0.00  0.00    +0.069 A 
ATOM     18 CL   LIG    1       -5.985  -0.793  -1.297  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1       -5.360   1.763  -0.881  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -4.661   2.820  -0.301  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1       -5.080   4.441  -0.693  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -3.630   2.572   0.601  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.288   1.256   0.920  0.00  0.00    +0.032 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  O   LIG    1        3.029  -1.001  -0.841  0.00  0.00    -0.454 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.012  -0.333  -0.152  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1        5.294  -0.875  -0.182  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1        6.322  -0.214   0.481  0.00  0.00    +0.063 A 
ATOM     28 CL   LIG    1        7.914  -0.856   0.483  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        6.032   0.972   1.141  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1        4.799   1.535   1.173  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1        3.818   0.875   0.512  0.00  0.00    +0.157 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6