@MOLECULE FDBD00529 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.2332 -2.2967 0.2862 S.O2 1 UNK 0.0736 2 O 0.8320 -3.0929 1.3510 O.2 1 UNK -0.1499 3 O1 -0.0770 -2.9420 -0.9837 O.2 1 UNK -0.1499 4 O2 -1.2073 1.1296 1.8336 O.3 1 UNK -0.4773 5 N -1.1853 -1.5460 0.9129 N.pl3 1 UNK -0.1952 6 N1 -2.3183 -0.8144 -1.0229 N.ar 1 UNK -0.2328 7 N2 3.8203 2.3297 -0.7555 N.pl3 1 UNK -0.3580 8 N3 -2.3220 1.8245 -0.0728 N.ar 1 UNK -0.2169 9 C 1.2870 -0.9386 -0.0196 C.ar 1 UNK 0.1087 10 C1 2.1530 -0.4896 0.9773 C.ar 1 UNK -0.0333 11 C2 1.2619 -0.3018 -1.2604 C.ar 1 UNK -0.0333 12 C3 -1.7741 -0.4738 0.1566 C.ar 1 UNK 0.2006 13 C4 2.9691 1.2329 -0.5075 C.ar 1 UNK 0.0247 14 C5 2.9939 0.5963 0.7334 C.ar 1 UNK -0.0392 15 C6 2.1029 0.7839 -1.5044 C.ar 1 UNK -0.0392 16 C7 -1.7714 0.8142 0.6291 C.ar 1 UNK 0.2572 17 C8 -2.8687 0.1961 -1.7249 C.ar 1 UNK 0.0481 18 C9 -2.8704 1.4921 -1.2583 C.ar 1 UNK 0.0496 19 C10 -1.2587 2.4964 2.2299 C.3 1 UNK 0.0805 20 H -1.5813 -1.8424 1.7641 H 1 UNK 0.1754 21 H1 4.4319 2.6470 -0.0523 H 1 UNK 0.1423 22 H2 3.8029 2.7780 -1.6318 H 1 UNK 0.1423 23 H3 2.1716 -0.9607 1.8953 H 1 UNK 0.0638 24 H4 0.6210 -0.6340 -1.9979 H 1 UNK 0.0638 25 H5 3.6344 0.9287 1.4711 H 1 UNK 0.0636 26 H6 2.0843 1.2550 -2.4224 H 1 UNK 0.0636 27 H7 -3.3018 -0.0073 -2.6393 H 1 UNK 0.0846 28 H8 -3.3046 2.2307 -1.8336 H 1 UNK 0.0846 29 H9 -0.7865 2.6093 3.1834 H 1 UNK 0.0660 30 H10 -2.2795 2.8098 2.2981 H 1 UNK 0.0660 31 H11 -0.7488 3.0971 1.5060 H 1 UNK 0.0660 @BOND 1 1 2 2 2 1 3 2 3 1 5 1 4 1 9 1 5 4 16 1 6 4 19 1 7 5 12 1 8 6 12 ar 9 6 17 ar 10 7 13 1 11 8 16 ar 12 8 18 ar 13 9 10 ar 14 9 11 ar 15 10 14 ar 16 11 15 ar 17 12 16 ar 18 13 14 ar 19 13 15 ar 20 17 18 ar 21 5 20 1 22 7 21 1 23 7 22 1 24 10 23 1 25 11 24 1 26 14 25 1 27 15 26 1 28 17 27 1 29 18 28 1 30 19 29 1 31 19 30 1 32 19 31 1