REMARK  Name = BDB055799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.538  -1.474  -0.223  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.364  -0.105  -0.031  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.874   0.384   0.393  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1        1.028   2.085   0.649  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        1.943  -0.494   0.611  0.00  0.00    +0.165 A 
ATOM      6  C   LIG    1        1.745  -1.871   0.450  0.00  0.00    +0.086 A 
ATOM      7 CL   LIG    1        3.014  -3.001   0.755  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        0.507  -2.361   0.029  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1       -1.812  -1.984  -0.595  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -1.851  -2.761  -1.256  0.00  0.00    +0.174 HD
BRANCH   9  12
ATOM     11  O   LIG    1       -3.947  -3.135   0.126  0.00  0.00    -0.150 OA
ATOM     12  S   LIG    1       -2.977  -2.184   0.619  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1       -2.286  -2.415   1.871  0.00  0.00    -0.150 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.767  -0.601   0.702  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.429  -0.049  -0.399  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -4.530  -0.808  -1.946  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -5.040   1.205  -0.277  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.989   1.896   0.933  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -5.739   3.437   1.069  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.332   1.349   2.032  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.722   0.099   1.919  0.00  0.00    +0.032 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  22
ATOM     22  O   LIG    1        3.155  -0.030   1.067  0.00  0.00    -0.452 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.028   0.501   0.146  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1        5.045   1.302   0.663  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.973   1.871  -0.202  0.00  0.00    +0.063 A 
ATOM     26 CL   LIG    1        7.233   2.869   0.401  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.858   1.613  -1.560  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        4.890   0.832  -2.097  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1        4.000   0.289  -1.230  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 5