REMARK  Name = BDB025465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.498  -0.039  -0.651  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.535  -1.160   0.209  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -1.512  -2.137   0.535  0.00  0.00    +0.257 C 
ATOM      4  O   LIG    1       -1.172  -3.141   1.169  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1        0.680  -1.294   0.855  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1        1.415  -0.264   0.453  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1        2.807  -0.003   0.942  0.00  0.00    +0.166 C 
ATOM      8  N   LIG    1        3.494   0.963   0.006  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1        2.621   2.159  -0.287  0.00  0.00    +0.114 C 
ATOM     10  C   LIG    1        1.379   1.731  -1.095  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        0.737   0.544  -0.471  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.952  -1.941   0.136  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.594  -0.644   0.588  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.423   0.071  -0.297  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -4.967   1.297   0.106  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.770   1.768   1.405  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.007   1.023   2.292  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.825   1.470   3.541  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.554  -0.341  -1.639  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.395   0.059  -2.057  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.510  -1.792  -1.820  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.419  -0.174   1.900  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.182  -2.338  -1.326  0.00  0.00    +0.036 C 
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1       -1.438   0.373  -1.531  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -1.337   1.273  -1.996  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.421   0.098  -1.527  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   8  27
ATOM     27  S   LIG    1        5.077   1.373   0.472  0.00  0.00    +0.038 S 
ATOM     28  O   LIG    1        5.572   2.328  -0.498  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1        5.043   1.692   1.881  0.00  0.00    -0.158 OA
BRANCH  27  30
ATOM     30  C   LIG    1        5.954  -0.143   0.218  0.00  0.00    +0.257 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.414   0.125   0.420  0.00  0.00    +0.363 C 
ATOM     32  F   LIG    1        7.706   0.120   1.745  0.00  0.00    -0.207 F 
ATOM     33  F   LIG    1        8.120  -0.908  -0.117  0.00  0.00    -0.207 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   8  27
TORSDOF 5