@MOLECULE naroparcil 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.2308 -0.4823 -0.8017 S.3 1 UNL1111111111 0.0537 2 S -2.4062 -0.6890 -1.6404 S.3 1 UNL1111111111 0.0328 3 O -2.4481 2.0329 -0.0742 O.3 1 UNL1111111111 -0.5444 4 O -3.9222 -0.2849 2.1328 O.3 1 UNL1111111111 -0.5747 5 O -5.6943 1.6854 1.5292 O.3 1 UNL1111111111 -0.5489 6 O 3.2526 -2.6061 1.4703 O.2 1 UNL1111111111 -0.4057 7 N 8.0941 2.7349 -0.7051 N.1 1 UNL1111111111 -0.2205 8 C -3.3811 1.5766 0.8810 C.3 1 UNL1111111111 0.0598 9 C -3.1402 0.0511 0.9915 C.3 1 UNL1111111111 0.1264 10 C -4.8173 1.9766 0.4738 C.3 1 UNL1111111111 0.1207 11 C -3.5445 -0.8206 -0.1919 C.3 1 UNL1111111111 -0.3000 12 C -5.2840 1.3372 -0.8301 C.3 1 UNL1111111111 -0.3833 13 C -0.8131 -0.9678 -0.8914 C.ar 1 UNL1111111111 -0.0879 14 C -0.0254 0.1237 -0.5307 C.ar 1 UNL1111111111 -0.1274 15 C -0.3546 -2.2711 -0.7159 C.ar 1 UNL1111111111 -0.1433 16 C 1.7095 -1.3960 0.1752 C.ar 1 UNL1111111111 -0.1352 17 C 1.2425 -0.0925 0.0046 C.ar 1 UNL1111111111 -0.1272 18 C 0.9111 -2.4858 -0.1737 C.ar 1 UNL1111111111 -0.1019 19 C 3.0518 -1.6562 0.7532 C.2 1 UNL1111111111 0.4459 20 C 4.1457 -0.7029 0.4217 C.ar 1 UNL1111111111 -0.1129 21 C 5.0460 -0.3362 1.4224 C.ar 1 UNL1111111111 -0.0996 22 C 4.2816 -0.2042 -0.8744 C.ar 1 UNL1111111111 -0.1202 23 C 6.0750 0.5563 1.1339 C.ar 1 UNL1111111111 -0.1258 24 C 5.3127 0.6814 -1.1713 C.ar 1 UNL1111111111 -0.1222 25 C 6.2031 1.0659 -0.1622 C.ar 1 UNL1111111111 -0.0100 26 C 7.2478 1.9843 -0.4608 C.1 1 UNL1111111111 0.0982 27 H -3.1420 2.0392 1.8727 H 1 UNL1111111111 0.1509 28 H -2.0687 -0.1257 1.2705 H 1 UNL1111111111 0.1480 29 H -4.8978 3.0906 0.3946 H 1 UNL1111111111 0.1408 30 H -3.5521 -1.8923 0.1285 H 1 UNL1111111111 0.1764 31 H -6.3416 1.6141 -1.0249 H 1 UNL1111111111 0.1822 32 H -4.6847 1.7239 -1.6779 H 1 UNL1111111111 0.1780 33 H -2.4622 3.0109 -0.1277 H 1 UNL1111111111 0.3211 34 H -3.9755 -1.2516 2.2664 H 1 UNL1111111111 0.3332 35 H -5.4853 0.8038 1.9236 H 1 UNL1111111111 0.3497 36 H -0.3905 1.1473 -0.6598 H 1 UNL1111111111 0.1854 37 H -0.9683 -3.1282 -0.9989 H 1 UNL1111111111 0.1678 38 H 1.8618 0.7581 0.2928 H 1 UNL1111111111 0.1641 39 H 1.2798 -3.5020 -0.0168 H 1 UNL1111111111 0.1722 40 H 4.9438 -0.7559 2.4268 H 1 UNL1111111111 0.1767 41 H 3.5825 -0.5090 -1.6559 H 1 UNL1111111111 0.1698 42 H 6.7796 0.8532 1.9118 H 1 UNL1111111111 0.1687 43 H 5.4261 1.0751 -2.1822 H 1 UNL1111111111 0.1688 @BOND 1 1 11 1 2 1 12 1 3 2 11 1 4 2 13 1 5 3 8 1 6 3 33 1 7 4 9 1 8 4 34 1 9 5 10 1 10 5 35 1 11 6 19 2 12 7 26 3 13 8 9 1 14 8 10 1 15 8 27 1 16 9 11 1 17 9 28 1 18 10 12 1 19 10 29 1 20 11 30 1 21 12 31 1 22 12 32 1 23 13 14 ar 24 13 15 ar 25 14 17 ar 26 14 36 1 27 15 18 ar 28 15 37 1 29 16 17 ar 30 16 18 ar 31 16 19 1 32 17 38 1 33 18 39 1 34 19 20 1 35 20 21 ar 36 20 22 ar 37 21 23 ar 38 21 40 1 39 22 24 ar 40 22 41 1 41 23 25 ar 42 23 42 1 43 24 25 ar 44 24 43 1 45 25 26 1