REMARK  Name = BDB060855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.389  -4.209  -1.666  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.110  -1.887  -0.273  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1        1.962  -2.142  -0.977  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.323  -1.474  -1.387  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        1.768  -3.486  -0.931  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        2.757  -4.059  -0.296  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1        3.606  -3.050   0.118  0.00  0.00    -0.128 NA
BRANCH   2  10
ATOM      8  F   LIG    1        5.835  -1.412   0.375  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        4.996  -0.368   0.304  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.646  -0.550  -0.022  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.827   0.592  -0.091  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        3.351   1.866   0.154  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.698   2.021   0.473  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        5.521   0.901   0.549  0.00  0.00    +0.039 A 
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1       -1.018  -3.809  -0.215  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.372  -2.153  -0.541  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -2.461  -1.555   0.008  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1       -3.159  -1.985   0.597  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.415  -0.236  -0.378  0.00  0.00    +0.165 A 
ATOM     20  N   LIG    1       -1.334  -0.067  -1.123  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1       -0.684  -1.273  -1.230  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.400   0.777  -0.007  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -4.496   0.485   0.815  0.00  0.00    +0.134 A 
ATOM     24  F   LIG    1       -4.672  -0.759   1.291  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.429   1.461   1.162  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -5.277   2.761   0.686  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.194   3.076  -0.134  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.262   2.091  -0.477  0.00  0.00    +0.014 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5