REMARK  Name = BDB055794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.896   0.348  -1.558  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -1.477   1.639  -1.876  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.334   2.163  -1.269  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.149   3.771  -1.670  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.408   1.383  -0.375  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -0.012   0.084  -0.068  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.155  -0.439  -0.675  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.022  -0.239  -2.187  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1       -2.911  -0.612  -3.129  0.00  0.00    +0.174 HD
BRANCH   8  11
ATOM     10  O   LIG    1       -4.567   1.785  -1.792  0.00  0.00    -0.150 OA
ATOM     11  S   LIG    1       -4.572   0.345  -1.888  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -5.406  -0.305  -2.880  0.00  0.00    -0.150 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.973  -0.382  -0.317  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -4.647   0.214   0.905  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1       -3.763   1.685   1.081  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1       -5.026  -0.413   2.101  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -5.729  -1.615   2.076  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1       -6.183  -2.372   3.552  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -6.063  -2.209   0.864  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -5.690  -1.593  -0.332  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   5  21
ATOM     21  O   LIG    1        1.510   1.936   0.242  0.00  0.00    -0.455 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.680   1.213   0.187  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.384   1.053   1.381  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1        4.597   0.347   1.403  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1        5.111  -0.186   0.196  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        6.324  -0.891   0.220  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.022  -1.070   1.415  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.518  -0.544   2.601  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.400   0.008  -1.000  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        5.314   0.161   2.596  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        3.194   0.711  -1.008  0.00  0.00    +0.047 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5