REMARK  Name = BDB025378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.697  -0.012   0.870  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.269  -0.411   0.682  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -1.593   0.659  -0.099  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.188   1.734  -0.722  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.131   2.443  -1.301  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.043   1.864  -1.080  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.655   1.943  -0.678  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -0.241   0.742  -0.359  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.771  -0.171   0.002  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.448  -1.207   0.574  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.350   0.612  -0.323  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.182   0.234  -0.407  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.252  -0.323   0.530  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.431  -0.889   0.009  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        5.385  -1.401   0.904  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1        5.227  -1.301   2.282  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.089  -0.691   2.796  0.00  0.00    +0.003 A 
ATOM     18  F   LIG    1        6.499  -1.977   0.423  0.00  0.00    -0.204 F 
ATOM     19  N   LIG    1        4.615  -1.060  -1.377  0.00  0.00    -0.341 N 
ATOM     20  H   LIG    1        5.605  -1.145  -1.606  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.870  -0.146  -2.221  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.111  -0.200   1.927  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.398  -0.223  -1.858  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1       -4.858  -2.464   0.751  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -4.637  -1.050   1.815  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -5.933  -0.431   1.997  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -3.842  -1.467   2.949  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   5  28
ATOM     28  N   LIG    1       -1.272   3.577  -1.995  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -0.423   4.109  -2.158  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -2.077   4.171  -1.832  0.00  0.00    +0.144 HD
ENDBRANCH   5  28
TORSDOF 3