@MOLECULE deferiprone 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.4358 -1.8139 0.0004 O.3 1 UNL1 -0.3867 2 O -2.7158 0.5187 0.0049 O.2 1 UNL1 -0.4500 3 N 1.3590 0.5463 -0.0056 N.ar 1 UNL1 -0.2829 4 C 0.6884 -0.6827 -0.0012 C.ar 1 UNL1 0.0303 5 C -0.6785 -0.6938 0.0004 C.ar 1 UNL1 0.0347 6 C 0.6527 1.7241 -0.0043 C.ar 1 UNL1 0.0907 7 C 1.5055 -1.9301 -0.0042 C.3 1 UNL1 -0.4367 8 C 2.8216 0.5809 0.0102 C.3 1 UNL1 -0.2402 9 C -1.5054 0.5385 0.0008 C.ar 1 UNL1 0.4709 10 C -0.7089 1.7495 -0.0038 C.ar 1 UNL1 -0.4297 11 H 1.2430 2.6482 -0.0057 H 1 UNL1 0.1595 12 H 0.8877 -2.8410 0.0362 H 1 UNL1 0.1572 13 H 2.1820 -1.9804 0.8634 H 1 UNL1 0.1643 14 H 2.1184 -2.0133 -0.9161 H 1 UNL1 0.1649 15 H 3.2166 0.1270 0.9385 H 1 UNL1 0.1545 16 H 3.1999 1.6168 -0.0409 H 1 UNL1 0.1548 17 H 3.2384 0.0338 -0.8559 H 1 UNL1 0.1555 18 H -1.2597 2.6857 -0.0067 H 1 UNL1 0.1923 19 H -0.8824 -2.6368 0.0079 H 1 UNL1 0.2967 @BOND 1 14 7 1 2 17 8 1 3 16 8 1 4 18 10 1 5 11 6 1 6 3 6 ar 7 3 4 ar 8 3 8 1 9 6 10 ar 10 7 4 1 11 7 12 1 12 7 13 1 13 10 9 ar 14 4 5 ar 15 1 5 1 16 1 19 1 17 5 9 ar 18 9 2 2 19 8 15 1