REMARK  Name = BDB018195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.462   0.522  -1.197  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        0.150   0.236  -2.248  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -0.943   0.512  -0.947  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.207   0.783   0.195  0.00  0.00    +0.129 A 
ATOM      5  N   LIG    1        1.167   0.776   0.048  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.393   0.416  -1.128  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -3.173  -0.279  -0.185  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.568  -0.380  -0.329  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.181   0.231  -1.431  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.415   0.926  -2.369  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.032   1.019  -2.218  0.00  0.00    +0.009 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.349  -1.092   0.630  0.00  0.00    -0.306 N 
ATOM     13  C   LIG    1       -4.902  -1.746   1.759  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -5.874  -2.309   2.443  0.00  0.00    -0.244 NA
ATOM     15  C   LIG    1       -7.009  -2.020   1.746  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.717  -1.275   0.628  0.00  0.00    +0.112 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  C   LIG    1        3.907   0.647  -1.245  0.00  0.00    +0.257 C 
ATOM     18  N   LIG    1        2.681   0.416  -1.795  0.00  0.00    -0.262 N 
ATOM     19  H   LIG    1        2.689   0.153  -2.771  0.00  0.00    +0.157 HD
ATOM     20  O   LIG    1        4.880   0.431  -1.978  0.00  0.00    -0.272 OA
BRANCH  17  23
ATOM     21  N   LIG    1        6.163   0.364   1.241  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        5.538   1.515   0.510  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1        4.084   1.116   0.208  0.00  0.00    +0.204 C 
ATOM     24  F   LIG    1        3.299   2.200   0.485  0.00  0.00    -0.230 F 
ATOM     25  C   LIG    1        3.819   0.008   1.222  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1        5.152  -0.713   1.326  0.00  0.00    +0.120 C 
BRANCH  21  28
ATOM     27  N   LIG    1        8.625  -0.025   1.371  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        7.484   0.158   1.311  0.00  0.00    +0.169 C 
ENDBRANCH  21  28
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5