REMARK  Name = BDB025382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.082   0.032   0.344  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        2.791   0.758   0.631  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.673   0.131  -0.153  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.380   0.382   0.070  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.283  -0.377  -0.857  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.610  -1.092  -1.663  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.692  -0.357  -0.934  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.259  -0.979  -1.831  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.869  -0.767  -1.225  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        3.221  -1.203  -1.653  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        4.283  -0.219  -1.127  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.384   0.505   0.112  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -3.744  -0.031   0.541  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -4.732   0.874   0.955  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -5.957   0.427   1.462  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.209  -0.940   1.556  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.231  -1.842   1.161  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.465  -3.156   1.270  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.486   2.246   0.906  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1       -5.135   2.895   1.335  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -3.393   2.816   0.320  0.00  0.00    +0.218 C 
ATOM     22  O   LIG    1       -3.208   4.029   0.375  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -4.003  -1.405   0.670  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -2.510   1.904  -0.490  0.00  0.00    +0.114 C 
ENDBRANCH   7  12
BRANCH   1  26
ATOM     25  C   LIG    1        6.549  -0.602   1.255  0.00  0.00    +0.215 C 
ATOM     26  S   LIG    1        5.399   0.754   1.142  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        5.945   1.762   0.260  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        4.978   1.080   2.487  0.00  0.00    -0.158 OA
ENDBRANCH   1  26
BRANCH   6  29
ATOM     29  N   LIG    1        0.223  -1.927  -2.651  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        0.870  -2.284  -3.348  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -0.760  -1.961  -2.943  0.00  0.00    +0.144 HD
ENDBRANCH   6  29
TORSDOF 3