REMARK  Name = BDB018179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.059  -0.966  -1.368  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        1.139  -0.312  -0.568  0.00  0.00    -0.262 N 
ATOM      3  H   LIG    1        1.415   0.362   0.130  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.789  -1.800  -2.229  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1        4.750   0.259   0.813  0.00  0.00    -0.266 N 
ATOM      6  C   LIG    1        3.942  -0.915   0.335  0.00  0.00    +0.166 C 
ATOM      7  C   LIG    1        3.519  -0.579  -1.100  0.00  0.00    +0.204 C 
ATOM      8  F   LIG    1        4.388  -1.220  -1.948  0.00  0.00    -0.230 F 
ATOM      9  C   LIG    1        3.791   0.913  -1.246  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        5.018   1.112  -0.374  0.00  0.00    +0.120 C 
BRANCH   5  12
ATOM     11  N   LIG    1        6.275   0.142   2.787  0.00  0.00    -0.174 NA
ATOM     12  C   LIG    1        5.572   0.196   1.871  0.00  0.00    +0.169 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1       -0.208  -0.534  -0.665  0.00  0.00    +0.165 A 
ATOM     14  S   LIG    1       -1.135   0.392   0.426  0.00  0.00    -0.052 S 
ATOM     15  C   LIG    1       -2.571  -0.328  -0.195  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.217  -1.219  -1.195  0.00  0.00    +0.129 A 
ATOM     17  N   LIG    1       -0.866  -1.334  -1.457  0.00  0.00    -0.232 NA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.899   0.042   0.303  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -4.149   0.225   1.671  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -5.426   0.568   2.125  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.470   0.731   1.218  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.240   0.549  -0.143  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.964   0.205  -0.598  0.00  0.00    +0.009 A 
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 4