@<TRIPOS>COMMENT
 LIGANDBOX_ID = HTS1610-00245597-01
 SOURCE = Namiki1610
 SOURCE_ID = NS-000438998-0000
 MOLECULAR_FORMULA = C6H9N3F2
 MOLECULAR_WEIGHT = 161.155
 MOLECULAR_CHARGE = 0
 NUM_OF_DONOR = 2
 NUM_OF_ACCEPTOR = 1
 HOMO = -8.6850
 LUMO = 0.9341
 NUM_OF_CHIRAL_ATOMS = 0
 LOGS = -0.6892
 LOGP = 1.6872
 NOTE = 

@<TRIPOS>MOLECULE
HTS1610-00245597-01
 20 20 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
     1 N1           2.5726    -2.0514    -0.0155 N.ar      1  LGD        -0.1293
     2 N2           3.6787    -2.8240     0.0488 N.ar      1  LGD        -0.1456
     3 C1           1.8091    -4.1132     0.0433 C.ar      1  LGD        -0.2917
     4 C2           1.4231    -2.7822    -0.0162 C.ar      1  LGD        -0.0364
     5 C3           3.2883    -4.1168     0.0849 C.ar      1  LGD         0.0211
     6 C4           2.5877    -0.5768    -0.0527 C.3       1  LGD        -0.0452
     7 C5           4.0052     0.0227    -0.0906 C.3       1  LGD         0.2278
     8 N3           4.1285    -5.2074     0.1755 N.pl3     1  LGD        -0.3009
     9 F1           3.9140     1.3758     0.1078 F         1  LGD        -0.1645
    10 F2           4.5793    -0.2006    -1.3163 F         1  LGD        -0.1645
    11 C6           0.0129    -2.2285    -0.0590 C.3       1  LGD        -0.1488
    12 H1           1.1596    -4.9759     0.0645 H         1  LGD         0.1596
    13 H2           2.0734    -0.2080     0.8353 H         1  LGD         0.1103
    14 H3           2.0363    -0.2405    -0.9315 H         1  LGD         0.1103
    15 H4           4.6428    -0.4118     0.7034 H         1  LGD         0.1312
    16 H5           5.0629    -5.0368    -0.1675 H         1  LGD         0.1965
    17 H6           3.7256    -6.0683    -0.1648 H         1  LGD         0.1965
    18 H7          -0.7033    -3.0490    -0.0712 H         1  LGD         0.0912
    19 H8          -0.1189    -1.6268    -0.9572 H         1  LGD         0.0912
    20 H9          -0.1683    -1.6125     0.8214 H         1  LGD         0.0912

@<TRIPOS>BOND
     1     1     2   1
     2     1     4   1
     3     1     6   1
     4     2     5   2
     5     3     4   2
     6     3     5   1
     7     4    11   1
     8     5     8   1
     9     6     7   1
    10     7     9   1
    11     7    10   1
    12     3    12   1
    13     6    13   1
    14     6    14   1
    15     7    15   1
    16     8    16   1
    17     8    17   1
    18    11    18   1
    19    11    19   1
    20    11    20   1