REMARK  Name = BDB049442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.516  -0.414   1.229  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.319  -1.521   1.080  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.681  -1.405   1.371  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1       -2.666  -2.816   1.224  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -2.214  -0.176   1.779  0.00  0.00    +0.165 A 
ATOM      6  C   LIG    1       -1.365   0.926   1.933  0.00  0.00    +0.086 A 
ATOM      7 CL   LIG    1       -1.962   2.451   2.478  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -0.005   0.812   1.643  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        1.905  -0.509   0.887  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1        2.267  -1.458   1.002  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1        2.252  -0.027  -0.722  0.00  0.00    +0.073 S 
ATOM     12  O   LIG    1        1.781   1.324  -0.929  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1        1.773  -1.108  -1.556  0.00  0.00    -0.150 OA
BRANCH  11  19
ATOM     14  C   LIG    1        8.378   0.135  -0.558  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        6.879   0.096  -0.616  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        6.120   1.075   0.025  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.713   1.042   0.010  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        3.999   2.168   0.712  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        4.054  -0.011  -0.679  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.814  -1.022  -1.317  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        4.228  -2.189  -2.065  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        6.221  -0.948  -1.267  0.00  0.00    +0.008 A 
ENDBRANCH  11  19
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   5  23
ATOM     23  O   LIG    1       -3.544  -0.065   2.110  0.00  0.00    -0.452 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.446   0.156   1.096  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -5.787  -0.011   1.429  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -6.784   0.196   0.466  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.383   0.580  -0.832  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -7.368   0.785  -1.788  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.725   0.621  -1.494  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.115   0.243  -0.214  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -5.092   0.752  -1.162  0.00  0.00    -0.251 NA
ATOM     32  C   LIG    1       -8.148   0.031   0.766  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -4.155   0.543  -0.204  0.00  0.00    +0.157 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 5