REMARK  Name = BDB018897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151  -0.344   0.273  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1       -0.041  -1.361   1.645  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        1.663  -1.405   1.496  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.060  -0.616   0.436  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        1.014  -0.011  -0.246  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.445  -0.416   0.017  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.527  -0.626   0.884  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        5.853  -0.418   0.457  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        6.087  -0.008  -0.863  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.020   0.210  -1.732  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.710   0.011  -1.293  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  C   LIG    1        7.005  -0.670   1.398  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1        6.702  -0.384   2.696  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.407  -1.970   1.387  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        8.111   0.068   1.105  0.00  0.00    -0.166 F 
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  17
ATOM     16  C   LIG    1       -1.258   1.144  -1.310  0.00  0.00    +0.140 C 
ATOM     17  N   LIG    1       -1.363   0.167  -0.221  0.00  0.00    -0.252 N 
ATOM     18  C   LIG    1       -2.599  -0.233   0.308  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -2.782  -1.244   0.992  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.815   0.658  -0.018  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1       -4.674   0.109  -1.131  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -6.080   0.039  -0.648  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1       -6.123   0.989   0.533  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.772   0.763   1.181  0.00  0.00    +0.034 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.221  -0.619  -2.161  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -3.810  -1.220  -3.059  0.00  0.00    -0.174 NA
ENDBRANCH  21  25
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 5