REMARK  Name = BDB025377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.290  -0.405   0.025  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.083   0.137  -0.675  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.843  -0.188   0.108  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.608   0.068  -0.331  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.214  -0.382   0.670  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.529  -0.853   1.760  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.619  -0.338   0.537  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.323  -0.754   1.454  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.849  -0.745   1.404  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.108  -1.082   2.113  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.274  -0.273   1.515  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.123   0.270  -0.767  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.472  -0.314  -1.164  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.653   0.433  -1.008  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -5.867  -0.150  -1.404  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1       -5.933  -1.450  -1.898  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.764  -2.193  -2.027  0.00  0.00    +0.003 A 
ATOM     18  F   LIG    1       -7.006   0.555  -1.294  0.00  0.00    -0.204 F 
ATOM     19  N   LIG    1       -4.623   1.782  -0.608  0.00  0.00    -0.341 N 
ATOM     20  H   LIG    1       -5.513   2.060  -0.196  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.450   2.204   0.134  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.539  -1.628  -1.665  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -2.193   1.798  -0.624  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1        6.079   1.568  -0.507  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1        5.761  -0.169  -0.762  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        5.548  -0.376  -2.177  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.773  -0.909  -0.039  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1       -0.027  -1.306   2.907  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.495  -1.901   3.545  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.039  -1.473   2.941  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3