REMARK  Name = BDB055413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.084  -0.031   0.370  0.00  0.00    +0.175 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        1.865  -1.590   0.001  0.00  0.00    +0.014 S 
ATOM      3  O   LIG    1        1.415  -2.022  -1.311  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        1.723  -2.457   1.159  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        3.598  -1.213  -0.153  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        3.978  -0.022   0.379  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        5.290   0.286   0.255  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        6.224  -0.525  -0.382  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        5.780  -1.743  -0.916  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.439  -2.098  -0.808  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        7.660  -0.097  -0.446  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        8.321  -0.332   0.720  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        7.801   1.234  -0.694  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        8.369  -0.735  -1.417  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.429  -0.181   0.462  0.00  0.00    +0.042 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.079   1.123   0.909  0.00  0.00    +0.106 C 
BRANCH  16  19
ATOM     17  O   LIG    1       -2.788   1.517  -1.286  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -3.273   1.198  -0.206  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1       -2.523   1.013   0.939  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -2.943   0.548   1.732  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -4.737   0.952  -0.087  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -5.428   1.143   1.117  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -6.804   0.904   1.178  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -7.489   0.482   0.038  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -9.182   0.190   0.119  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -6.812   0.304  -1.167  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -5.437   0.544  -1.231  0.00  0.00    +0.014 A 
ENDBRANCH  18  21
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7