REMARK  Name = BDB055579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.134  -0.829  -1.521  0.00  0.00    -0.251 N 
ATOM      2  C   LIG    1       -0.834  -1.997  -1.471  0.00  0.00    +0.141 C 
ATOM      3  S   LIG    1       -0.452  -3.483  -2.096  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -2.000  -1.792  -0.776  0.00  0.00    -0.305 N 
ATOM      5  H   LIG    1       -2.622  -2.555  -0.542  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1       -2.126  -0.447  -0.240  0.00  0.00    +0.162 C 
ATOM      7  C   LIG    1       -0.795   0.144  -0.803  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -0.383   1.286  -0.623  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.184  -0.554   1.293  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.129  -0.144   2.128  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.218  -0.275   3.518  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.361  -0.821   4.095  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.466  -0.979   5.804  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.418  -1.238   3.294  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.330  -1.108   1.905  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   6  16
ATOM     16  C   LIG    1       -3.320   0.318  -0.836  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -3.580   1.639  -0.415  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.656   2.364  -0.934  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -5.487   1.782  -1.885  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -6.812   2.672  -2.525  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -5.248   0.483  -2.324  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.171  -0.244  -1.806  0.00  0.00    +0.008 A 
ENDBRANCH   6  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.177  -0.597  -2.115  0.00  0.00    +0.115 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.298  -0.838  -1.100  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.672  -0.563  -1.715  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.822  -0.771  -0.725  0.00  0.00    +0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.322   0.508  -0.045  0.00  0.00    -0.000 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.899   2.357   1.613  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        4.288   1.195   0.844  0.00  0.00    -0.003 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8