REMARK  Name = BDB000767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.167  -0.591  -1.872  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.140  -0.838  -1.440  0.00  0.00    +0.159 A 
ATOM      3  F   LIG    1       -0.381  -1.905  -0.662  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -1.168   0.019  -1.808  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -0.899   1.111  -2.625  0.00  0.00    +0.137 A 
ATOM      6  F   LIG    1       -1.875   1.956  -2.985  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1        0.401   1.365  -3.061  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        1.442   0.519  -2.673  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        2.249  -1.393  -1.380  0.00  0.00    -0.218 N 
ATOM     10  H   LIG    1        1.992  -2.379  -1.250  0.00  0.00    +0.173 HD
BRANCH   9  11
ATOM     11  S   LIG    1        2.902  -0.871   0.111  0.00  0.00    +0.043 S 
ATOM     12  O   LIG    1        3.041  -2.075   0.899  0.00  0.00    -0.155 OA
ATOM     13  O   LIG    1        2.155   0.274   0.587  0.00  0.00    -0.155 OA
BRANCH  11  14
ATOM     14  C   LIG    1        4.526  -0.342  -0.422  0.00  0.00    +0.188 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.805  -0.627   1.765  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        5.331   0.332   0.684  0.00  0.00    +0.021 C 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -2.534  -0.227  -1.348  0.00  0.00    +0.201 C 
ATOM     18  O   LIG    1       -3.364  -0.576  -2.183  0.00  0.00    -0.286 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.846  -0.046   0.068  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -4.107  -0.300   0.705  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -3.958   0.006   2.054  0.00  0.00    +0.139 A 
ATOM     22  N   LIG    1       -4.883  -0.083   3.028  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1       -6.079  -0.532   2.571  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1       -6.368  -0.874   1.256  0.00  0.00    +0.060 A 
ATOM     25 CL   LIG    1       -7.935  -1.430   0.822  0.00  0.00    -0.082 Cl
ATOM     26  N   LIG    1       -2.675   0.429   2.252  0.00  0.00    -0.345 N 
ATOM     27  H   LIG    1       -2.310   0.708   3.151  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1       -5.371  -0.761   0.289  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -1.992   0.413   1.062  0.00  0.00    +0.096 A 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 6