@COMMENT
 LIGANDBOX_ID = KEGG_DURG-00001884-01
 SOURCE = KEGG_DRUG
 SUPPLIER = KEGG_DRUG
 IDNUMBER = D02002
 MOLECULAR_FORMULA = C7H9N3O4S
 MOLECULAR_WEIGHT = 231.231
 MOLECULAR_CHARGE = 0
 NUM_OF_DONOR = 3
 NUM_OF_ACCEPTOR = 5
 HOMO = -11.2137
 LUMO = -1.9590
 NUM_OF_CHIRAL_ATOMS = 0
 LOGS = 
 LOGP = 
 NOTE = 

@MOLECULE
KEGG_DURG-00001884-01
 24 24 0 0 0
SMALL
USER_CHARGES

@ATOM
     1 N1           7.5230   -10.6920     0.0000 N.ar      1  UNK        -0.1437
     2 C1           7.5210   -11.9970     0.0000 C.ar      1  UNK        -0.0251
     3 H1           6.5820   -12.5520     0.0000 H         1  UNK         0.1802
     4 C2           8.6910   -12.6330     0.0000 C.ar      1  UNK        -0.1564
     5 H2           8.6780   -13.7140     0.0000 H         1  UNK         0.1429
     6 C3           9.8480   -11.9720     0.0000 C.ar      1  UNK        -0.0637
     7 C4           9.7900   -10.6390     0.0000 C.ar      1  UNK        -0.1564
     8 H3          10.6910   -10.0450     0.0000 H         1  UNK         0.1429
     9 C5           8.6250    -9.9920     0.0000 C.ar      1  UNK        -0.0251
    10 H4           8.5910    -8.9020     0.0000 H         1  UNK         0.1802
    11 C6          11.1430   -12.7160     0.0000 C.2       1  UNK         0.3362
    12 N2          12.3110   -12.0180     0.0000 N.am      1  UNK        -0.3802
    13 H5          12.3280   -11.0080     0.0000 H         1  UNK         0.2998
    14 N3          13.5390   -12.7430     0.0000 N.4       1  UNK         0.1336
    15 H6          13.6010   -13.3240    -0.8490 H         1  UNK         0.2882
    16 H7          13.6010   -13.3240     0.8490 H         1  UNK         0.2882
    17 C7          14.6910   -11.7840     0.0000 C.3       1  UNK        -0.7631
    18 H8          14.6330   -11.1610     0.9080 H         1  UNK         0.1713
    19 H9          14.6330   -11.1610    -0.9080 H         1  UNK         0.1713
    20 S1          16.1940   -12.6940     0.0000 S.o2      1  UNK         2.5471
    21 O1          17.2280   -11.6230     0.0000 O.co2     1  UNK        -0.9445
    22 O2          11.1610   -13.9800     0.0000 O.2       1  UNK        -0.3347
    23 O3          16.1050   -13.4890    -1.2570 O.co2     1  UNK        -0.9445
    24 O4          16.1050   -13.4890     1.2570 O.co2     1  UNK        -0.9445

@BOND
     1     1     2  ar
     2     2     4  ar
     3     4     6  ar
     4     6     7  ar
     5     7     9  ar
     6     1     9  ar
     7     6    11   1
     8    11    12  am
     9    12    14   1
    10    14    17   1
    11    17    20   1
    12    20    21   1
    13    11    22   2
    14    20    23   2
    15    20    24   2
    16     2     3   1
    17     4     5   1
    18     7     8   1
    19     9    10   1
    20    12    13   1
    21    14    15   1
    22    14    16   1
    23    17    18   1
    24    17    19   1