REMARK  Name = BDB018187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.765  -0.105  -1.045  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1       -0.190   1.488  -1.227  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1        1.032   1.167  -0.053  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.895  -0.149   0.390  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.793  -0.631   1.359  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.796   0.211   1.857  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.933   1.533   1.412  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.037   2.018   0.440  0.00  0.00    +0.025 A 
ATOM      9  N   LIG    1       -0.141  -0.863  -0.187  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.993   2.402   1.949  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.122   2.616   3.332  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.127   3.442   3.842  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.022   4.066   2.978  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.913   3.867   1.604  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.907   3.042   1.095  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   1  17
ATOM     16  C   LIG    1       -2.416  -1.655  -1.877  0.00  0.00    +0.257 C 
ATOM     17  N   LIG    1       -1.841  -0.399  -1.832  0.00  0.00    -0.262 N 
ATOM     18  H   LIG    1       -2.174   0.325  -2.457  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1       -2.074  -2.644  -1.239  0.00  0.00    -0.272 OA
BRANCH  16  22
ATOM     20  N   LIG    1       -5.059  -3.636  -2.820  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1       -3.864  -3.010  -3.478  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -3.645  -1.662  -2.786  0.00  0.00    +0.204 C 
ATOM     23  F   LIG    1       -3.557  -0.664  -3.720  0.00  0.00    -0.230 F 
ATOM     24  C   LIG    1       -4.914  -1.433  -1.976  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -5.359  -2.838  -1.606  0.00  0.00    +0.120 C 
BRANCH  20  27
ATOM     26  N   LIG    1       -5.650  -6.049  -3.069  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -5.375  -4.932  -2.951  0.00  0.00    +0.169 C 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 4