REMARK  Name = BDB055414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.303   0.309   1.700  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.701   0.117   0.650  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -1.326   0.023   0.572  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.935  -0.429  -0.252  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.455  -0.059  -0.626  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.870   0.167  -1.880  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.623  -0.007  -3.046  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -4.958  -0.399  -2.961  0.00  0.00    +0.041 A 
ATOM      9 CL   LIG    1       -5.879  -0.611  -4.398  0.00  0.00    -0.084 Cl
ATOM     10  C   LIG    1       -5.553  -0.613  -1.719  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.803  -0.439  -0.553  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  12
ATOM     12  C   LIG    1       -0.512  -0.004   1.777  0.00  0.00    +0.127 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.915   0.445   1.527  0.00  0.00    +0.192 C 
BRANCH  13  14
ATOM     14  S   LIG    1        1.803  -0.775   0.592  0.00  0.00    +0.015 S 
ATOM     15  O   LIG    1        1.988  -1.941   1.438  0.00  0.00    -0.168 OA
ATOM     16  O   LIG    1        1.156  -0.899  -0.706  0.00  0.00    -0.168 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.415  -0.080   0.311  0.00  0.00    +0.176 A 
ATOM     18  N   LIG    1        3.552   1.219   0.682  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1        4.776   1.754   0.483  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.847   1.053  -0.055  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.661  -0.280  -0.415  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.417  -0.870  -0.230  0.00  0.00    +0.047 A 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 5