@MOLECULE amsonic acid 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.0414 -1.8732 0.2144 S.O2 1 UNL111111111 2.4026 2 S 2.9840 1.8800 -0.0568 S.O2 1 UNL111111111 2.4050 3 O -2.4487 -2.2494 -1.2902 O.3 1 UNL111111111 -0.8373 4 O 2.3805 2.0902 1.4732 O.3 1 UNL111111111 -0.8336 5 O -2.1076 -2.3802 1.1827 O.2 1 UNL111111111 -0.8810 6 O -4.4040 -2.3493 0.1915 O.2 1 UNL111111111 -0.9206 7 O 4.3289 2.3995 0.0136 O.2 1 UNL111111111 -0.9213 8 O 2.0309 2.4421 -0.9762 O.2 1 UNL111111111 -0.8863 9 N -5.4019 2.6487 -0.1699 N.pl3 1 UNL111111111 -0.6300 10 N 5.4674 -2.5884 0.1640 N.pl3 1 UNL111111111 -0.6313 11 C -1.7788 0.5684 0.1771 C.ar 1 UNL111111111 -0.0091 12 C 1.8164 -0.5908 -0.3295 C.ar 1 UNL111111111 -0.0078 13 C -2.9868 -0.1267 0.1322 C.ar 1 UNL111111111 -0.3193 14 C 2.9944 0.1330 -0.1476 C.ar 1 UNL111111111 -0.3200 15 C -0.4888 -0.1004 0.3549 C.2 1 UNL111111111 -0.1497 16 C 0.5184 0.0619 -0.5108 C.2 1 UNL111111111 -0.1561 17 C -4.1926 0.5540 -0.0102 C.ar 1 UNL111111111 -0.2303 18 C 4.2147 -0.5210 -0.0069 C.ar 1 UNL111111111 -0.2278 19 C -1.7874 1.9688 0.0562 C.ar 1 UNL111111111 -0.0879 20 C 1.8669 -1.9940 -0.3511 C.ar 1 UNL111111111 -0.0900 21 C -4.1961 1.9561 -0.1105 C.ar 1 UNL111111111 0.2361 22 C 4.2613 -1.9259 -0.0419 C.ar 1 UNL111111111 0.2369 23 C -2.9755 2.6628 -0.0854 C.ar 1 UNL111111111 -0.2501 24 C 3.0708 -2.6623 -0.2154 C.ar 1 UNL111111111 -0.2487 25 H -0.3907 -0.7261 1.2516 H 1 UNL111111111 0.1893 26 H 0.4234 0.6874 -1.4071 H 1 UNL111111111 0.1852 27 H -5.1452 0.0169 -0.0386 H 1 UNL111111111 0.1818 28 H 5.1429 0.0385 0.1382 H 1 UNL111111111 0.1815 29 H -0.8349 2.5101 0.0721 H 1 UNL111111111 0.1794 30 H 0.9372 -2.5575 -0.4748 H 1 UNL111111111 0.1739 31 H -2.9702 3.7458 -0.1722 H 1 UNL111111111 0.1583 32 H 3.0991 -3.7482 -0.2298 H 1 UNL111111111 0.1582 33 H -5.3970 3.6069 -0.4459 H 1 UNL111111111 0.2929 34 H -6.2374 2.1458 -0.3833 H 1 UNL111111111 0.2957 35 H 5.5315 -3.5596 -0.0516 H 1 UNL111111111 0.2934 36 H 6.3204 -2.0752 0.0928 H 1 UNL111111111 0.2965 37 H -2.8936 -2.9640 -1.7609 H 1 UNL111111111 0.3853 38 H 2.8090 2.7634 2.0164 H 1 UNL111111111 0.3861 @BOND 1 1 3 1 2 1 5 2 3 1 6 2 4 1 13 1 5 2 4 1 6 2 7 2 7 2 8 2 8 2 14 1 9 3 37 1 10 4 38 1 11 9 21 1 12 9 33 1 13 9 34 1 14 10 22 1 15 10 35 1 16 10 36 1 17 11 13 ar 18 11 15 1 19 11 19 ar 20 12 14 ar 21 12 16 1 22 12 20 ar 23 13 17 ar 24 14 18 ar 25 15 16 2 26 15 25 1 27 16 26 1 28 17 21 ar 29 17 27 1 30 18 22 ar 31 18 28 1 32 19 23 ar 33 19 29 1 34 20 24 ar 35 20 30 1 36 21 23 ar 37 22 24 ar 38 23 31 1 39 24 32 1