REMARK  Name = BDB025374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.971   0.679  -0.529  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.386   0.271  -0.418  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.001  -0.993  -0.290  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.317  -0.748   0.028  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.458  -1.649   0.333  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.598  -0.851   0.996  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.913   0.379   0.190  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.771   1.369   0.182  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.475   0.647  -0.054  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.337   1.264  -0.357  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.223   1.862  -0.751  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.890   1.059   0.315  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.706   0.712  -0.547  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -4.445   0.408   0.015  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.298   0.350   1.415  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.889   1.038   1.876  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.936   0.360   1.920  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -2.121  -0.709   1.211  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.030  -0.387  -0.285  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.392   0.023  -0.841  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -3.581   0.027  -2.235  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.810   0.377  -2.781  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.868   0.711  -1.942  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  S   LIG    1        6.392   1.130   0.565  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.558   1.077   2.001  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.453   2.383  -0.155  0.00  0.00    -0.158 OA
ATOM     27  C   LIG    1        7.564   0.023  -0.193  0.00  0.00    +0.215 C 
ENDBRANCH   7  24
BRANCH   3  28
ATOM     28  N   LIG    1        0.406  -2.205  -0.447  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        1.009  -3.025  -0.359  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.183  -2.349  -1.268  0.00  0.00    +0.144 HD
ENDBRANCH   3  28
TORSDOF 3