@MOLECULE FDBD00768 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.7258 -0.0270 0.2587 S.O2 1 UNK -0.0253 2 O 2.8125 1.2555 0.9368 O.2 1 UNK -0.1742 3 O1 3.0849 -1.2540 0.9494 O.2 1 UNK -0.1742 4 O2 -2.8271 2.6815 -0.2685 O.2 1 UNK -0.3916 5 O3 -0.8054 2.2192 0.4641 O.2 1 UNK -0.1241 6 N -1.3154 -0.5096 0.2211 N.ar 1 UNK -0.1577 7 N1 -3.1332 -1.5580 -0.4665 N.ar 1 UNK -0.3051 8 N2 -1.9352 1.8406 0.0412 N.4 1 UNK 0.0737 9 C 1.0882 -0.2079 -0.3739 C.3 1 UNK 0.1250 10 C1 0.0405 -0.3160 0.7249 C.3 1 UNK 0.1736 11 C2 3.7247 0.0740 -1.2091 C.3 1 UNK 0.0632 12 C3 -1.9063 -1.7098 -0.0195 C.ar 1 UNK 0.2568 13 C4 -2.2022 0.4731 -0.0851 C.ar 1 UNK 0.3721 14 C5 5.1903 0.2349 -0.8727 C.3 1 UNK -0.0457 15 C6 -3.3236 -0.1995 -0.5103 C.ar 1 UNK 0.1038 16 C7 -1.2187 -2.9970 0.2094 C.3 1 UNK 0.0387 17 H -2.6549 3.5989 -0.1863 H 1 UNK 0.3294 18 H1 -3.7739 -2.2630 -0.7149 H 1 UNK 0.1708 19 H2 1.0488 -1.0940 -0.9724 H 1 UNK 0.0563 20 H3 0.8653 0.6679 -0.9467 H 1 UNK 0.0563 21 H4 0.2909 -1.1470 1.3507 H 1 UNK 0.1049 22 H5 0.0480 0.6114 1.2585 H 1 UNK 0.1049 23 H6 3.4067 0.9153 -1.7887 H 1 UNK 0.0497 24 H7 3.6048 -0.8355 -1.7598 H 1 UNK 0.0497 25 H8 5.3322 1.1405 -0.3207 H 1 UNK 0.0245 26 H9 5.7614 0.2750 -1.7766 H 1 UNK 0.0245 27 H10 5.5142 -0.5969 -0.2828 H 1 UNK 0.0245 28 H11 -4.1948 0.2576 -0.8218 H 1 UNK 0.0895 29 H12 -0.2301 -2.8132 0.5751 H 1 UNK 0.0353 30 H13 -1.1633 -3.5404 -0.7107 H 1 UNK 0.0353 31 H14 -1.7646 -3.5699 0.9296 H 1 UNK 0.0353 @BOND 1 1 2 2 2 1 3 2 3 1 9 1 4 1 11 1 5 4 8 1 6 5 8 2 7 6 10 1 8 6 12 ar 9 6 13 ar 10 7 12 ar 11 7 15 ar 12 8 13 1 13 9 10 1 14 11 14 1 15 12 16 1 16 13 15 ar 17 4 17 1 18 7 18 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 14 25 1 26 14 26 1 27 14 27 1 28 15 28 1 29 16 29 1 30 16 30 1 31 16 31 1