@MOLECULE dinsed 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7165 -1.6872 0.2270 S.O2 1 UNL111111111 2.3371 2 S -1.0790 2.9003 0.1277 S.O2 1 UNL111111111 2.3619 3 O -3.3965 -2.3677 -0.8450 O.2 1 UNL111111111 -0.8961 4 O -3.1745 -1.7560 1.5942 O.2 1 UNL111111111 -0.9066 5 O -2.2797 2.6775 0.9101 O.2 1 UNL111111111 -0.9382 6 O -0.4901 4.2066 -0.0190 O.2 1 UNL111111111 -0.9016 7 O 3.1995 -2.2696 -1.8115 O.2 1 UNL111111111 -0.3683 8 O 4.5769 0.2302 0.6549 O.2 1 UNL111111111 -0.4009 9 O 1.8003 -0.7185 -2.3379 O.2 1 UNL111111111 -0.4036 10 O 4.0833 1.9703 -0.5163 O.2 1 UNL111111111 -0.3697 11 N -2.6052 -0.0133 -0.1883 N.3 1 UNL111111111 -0.8755 12 N -1.4281 2.3857 -1.4956 N.3 1 UNL111111111 -0.8402 13 N 2.1316 -1.6982 -1.6873 N.pl3 1 UNL111111111 0.6109 14 N 3.7958 1.0853 0.2694 N.pl3 1 UNL111111111 0.6187 15 C -2.8440 0.3535 -1.5963 C.3 1 UNL111111111 -0.0692 16 C -2.7866 1.8928 -1.7723 C.3 1 UNL111111111 -0.0807 17 C -1.0242 -2.2158 0.2269 C.ar 1 UNL111111111 -0.3852 18 C 0.1671 1.8190 0.7454 C.ar 1 UNL111111111 -0.3822 19 C -0.1272 -1.7377 -0.7211 C.ar 1 UNL111111111 -0.0182 20 C 1.4590 1.8693 0.2306 C.ar 1 UNL111111111 -0.0019 21 C -0.6041 -3.1329 1.1898 C.ar 1 UNL111111111 -0.0326 22 C -0.1405 0.9601 1.8004 C.ar 1 UNL111111111 -0.0109 23 C 1.1907 -2.2029 -0.6980 C.ar 1 UNL111111111 -0.1139 24 C 2.4356 1.0405 0.7898 C.ar 1 UNL111111111 -0.1151 25 C 0.7148 -3.5909 1.2005 C.ar 1 UNL111111111 -0.1921 26 C 0.8457 0.1374 2.3481 C.ar 1 UNL111111111 -0.2004 27 C 1.6226 -3.1335 0.2507 C.ar 1 UNL111111111 -0.0543 28 C 2.1415 0.1733 1.8470 C.ar 1 UNL111111111 -0.0579 29 H -2.0584 -0.1164 -2.2342 H 1 UNL111111111 0.1483 30 H -3.8274 -0.0162 -1.9713 H 1 UNL111111111 0.1372 31 H -3.5616 2.3750 -1.1291 H 1 UNL111111111 0.1518 32 H -3.0646 2.1362 -2.8229 H 1 UNL111111111 0.1347 33 H -3.0048 0.6606 0.4766 H 1 UNL111111111 0.3375 34 H -1.0649 2.9910 -2.2285 H 1 UNL111111111 0.3051 35 H -0.4178 -0.9958 -1.4818 H 1 UNL111111111 0.1985 36 H 1.7338 2.5473 -0.5930 H 1 UNL111111111 0.2004 37 H -1.3010 -3.5017 1.9558 H 1 UNL111111111 0.1811 38 H -1.1573 0.9228 2.2206 H 1 UNL111111111 0.1875 39 H 1.0335 -4.3124 1.9534 H 1 UNL111111111 0.1701 40 H 0.5974 -0.5272 3.1754 H 1 UNL111111111 0.1668 41 H 2.6591 -3.4908 0.2429 H 1 UNL111111111 0.1889 42 H 2.9258 -0.4607 2.2730 H 1 UNL111111111 0.1789 @BOND 1 1 3 2 2 1 4 2 3 1 11 1 4 1 17 1 5 2 5 2 6 2 6 2 7 2 12 1 8 2 18 1 9 7 13 2 10 8 14 2 11 9 13 2 12 10 14 2 13 11 15 1 14 11 33 1 15 12 16 1 16 12 34 1 17 13 23 1 18 14 24 1 19 15 16 1 20 15 29 1 21 15 30 1 22 16 31 1 23 16 32 1 24 17 19 ar 25 17 21 ar 26 18 20 ar 27 18 22 ar 28 19 23 ar 29 19 35 1 30 20 24 ar 31 20 36 1 32 21 25 ar 33 21 37 1 34 22 26 ar 35 22 38 1 36 23 27 ar 37 24 28 ar 38 25 27 ar 39 25 39 1 40 26 28 ar 41 26 40 1 42 27 41 1 43 28 42 1