@MOLECULE FDBD00442 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.4282 2.2166 0.1150 S.O2 1 UNK 0.0739 2 S1 -2.5733 -0.3326 -1.4850 S.2 1 UNK -0.0345 3 O 1.1936 3.1892 -0.6559 O.2 1 UNK -0.1499 4 O1 0.0941 2.5246 1.5002 O.2 1 UNK -0.1499 5 N -1.0123 1.8559 -0.7588 N.pl3 1 UNK -0.1924 6 N1 -1.9298 0.3369 0.9034 N.ar 1 UNK -0.1245 7 N2 3.3852 -2.9402 -0.0293 N.pl3 1 UNK -0.3580 8 N3 -2.7042 -0.8032 1.0303 N.ar 1 UNK -0.1449 9 C 1.2962 0.7024 0.0726 C.ar 1 UNK 0.1087 10 C1 2.1816 0.4350 -0.9717 C.ar 1 UNK -0.0333 11 C2 1.1045 -0.2402 1.0829 C.ar 1 UNK -0.0333 12 C3 2.6833 -1.7172 0.0043 C.ar 1 UNK 0.0247 13 C4 2.8749 -0.7748 -1.0058 C.ar 1 UNK -0.0392 14 C5 1.7981 -1.4499 1.0487 C.ar 1 UNK -0.0392 15 C6 -1.7747 0.7033 -0.3607 C.ar 1 UNK 0.2006 16 C7 -3.1043 -1.2543 -0.1393 C.ar 1 UNK 0.1007 17 C8 -3.9412 -2.4518 -0.3509 C.3 1 UNK -0.0140 18 H -1.3050 2.4224 -1.5089 H 1 UNK 0.1758 19 H1 4.0100 -3.1291 -0.7663 H 1 UNK 0.1423 20 H2 3.2503 -3.6049 0.6843 H 1 UNK 0.1423 21 H3 2.3236 1.1323 -1.7191 H 1 UNK 0.0638 22 H4 0.4496 -0.0425 1.8556 H 1 UNK 0.0638 23 H5 3.5297 -0.9726 -1.7785 H 1 UNK 0.0636 24 H6 1.6564 -2.1472 1.7961 H 1 UNK 0.0636 25 H7 -4.1143 -2.5854 -1.3983 H 1 UNK 0.0298 26 H8 -4.8772 -2.3262 0.1521 H 1 UNK 0.0298 27 H9 -3.4387 -3.3117 0.0401 H 1 UNK 0.0298 @BOND 1 1 3 2 2 1 4 2 3 1 5 1 4 1 9 1 5 2 15 ar 6 2 16 ar 7 5 15 1 8 6 8 ar 9 6 15 ar 10 7 12 1 11 8 16 ar 12 9 10 ar 13 9 11 ar 14 10 13 ar 15 11 14 ar 16 12 13 ar 17 12 14 ar 18 16 17 1 19 5 18 1 20 7 19 1 21 7 20 1 22 10 21 1 23 11 22 1 24 13 23 1 25 14 24 1 26 17 25 1 27 17 26 1 28 17 27 1