@MOLECULE 3s-hydroxydecanoyl-s-n-acetyl cysteamine 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4797 -1.9629 0.2264 S.3 1 UNL111111111111 -0.1010 2 O 0.6046 -0.4124 0.9418 O.3 1 UNL111111111111 -0.5499 3 O -2.1341 0.4334 -0.8886 O.2 1 UNL111111111111 -0.4709 4 O -6.7683 1.2519 0.8591 O.2 1 UNL111111111111 -0.5490 5 N -4.9610 0.5223 -0.2901 N.am 1 UNL111111111111 -0.6179 6 C 3.2144 0.2530 -0.1311 C.3 1 UNL111111111111 -0.2613 7 C 4.6389 -0.1759 -0.5008 C.3 1 UNL111111111111 -0.2754 8 C 2.1796 -0.5812 -0.8945 C.3 1 UNL111111111111 -0.3392 9 C 5.6691 0.6277 0.3031 C.3 1 UNL111111111111 -0.2739 10 C 0.7653 -0.2053 -0.4384 C.3 1 UNL111111111111 0.1849 11 C 7.0959 0.2048 -0.0678 C.3 1 UNL111111111111 -0.2738 12 C -0.2927 -1.0303 -1.2076 C.3 1 UNL111111111111 -0.4452 13 C 8.1269 0.9894 0.7547 C.3 1 UNL111111111111 -0.2500 14 C -1.6461 -0.6455 -0.6904 C.2 1 UNL111111111111 0.4727 15 C 9.5502 0.5699 0.3873 C.3 1 UNL111111111111 -0.4399 16 C -3.8776 -1.1957 1.1215 C.3 1 UNL111111111111 -0.3365 17 C -5.0811 -0.8365 0.2411 C.3 1 UNL111111111111 -0.0640 18 C -5.8230 1.5149 0.1432 C.2 1 UNL111111111111 0.6115 19 C -5.5345 2.8951 -0.3781 C.3 1 UNL111111111111 -0.5262 20 H 3.0728 1.3291 -0.3467 H 1 UNL111111111111 0.1418 21 H 3.0527 0.1477 0.9607 H 1 UNL111111111111 0.1531 22 H 4.8108 -0.0344 -1.5840 H 1 UNL111111111111 0.1359 23 H 4.7742 -1.2568 -0.3103 H 1 UNL111111111111 0.1349 24 H 2.3662 -1.6588 -0.7306 H 1 UNL111111111111 0.1448 25 H 2.2869 -0.4168 -1.9829 H 1 UNL111111111111 0.1498 26 H 5.5349 1.7099 0.1185 H 1 UNL111111111111 0.1383 27 H 5.5007 0.4820 1.3868 H 1 UNL111111111111 0.1390 28 H 0.5673 0.8900 -0.5341 H 1 UNL111111111111 0.1596 29 H 7.2721 0.3668 -1.1473 H 1 UNL111111111111 0.1360 30 H 7.2268 -0.8802 0.1003 H 1 UNL111111111111 0.1362 31 H -0.0751 -2.1121 -1.1261 H 1 UNL111111111111 0.1771 32 H -0.2316 -0.7965 -2.2931 H 1 UNL111111111111 0.1867 33 H 7.9977 2.0753 0.5872 H 1 UNL111111111111 0.1344 34 H 7.9519 0.8264 1.8350 H 1 UNL111111111111 0.1347 35 H 9.7632 0.7578 -0.6708 H 1 UNL111111111111 0.1423 36 H 10.2912 1.1228 0.9754 H 1 UNL111111111111 0.1414 37 H 9.7137 -0.4976 0.5721 H 1 UNL111111111111 0.1424 38 H 0.8489 -1.3212 1.2070 H 1 UNL111111111111 0.3196 39 H -3.5265 -0.3034 1.6795 H 1 UNL111111111111 0.1831 40 H -4.1736 -1.9378 1.8918 H 1 UNL111111111111 0.1768 41 H -5.2049 -1.5463 -0.6096 H 1 UNL111111111111 0.1503 42 H -6.0241 -0.9185 0.8440 H 1 UNL111111111111 0.1801 43 H -4.0895 0.7384 -0.7552 H 1 UNL111111111111 0.3317 44 H -5.6970 2.9539 -1.4632 H 1 UNL111111111111 0.1763 45 H -6.2093 3.6261 0.0955 H 1 UNL111111111111 0.1862 46 H -4.5042 3.2128 -0.1732 H 1 UNL111111111111 0.1727 @BOND 1 1 14 1 2 1 16 1 3 2 10 1 4 2 38 1 5 3 14 2 6 4 18 2 7 5 17 1 8 5 18 am 9 5 43 1 10 6 7 1 11 6 8 1 12 6 20 1 13 6 21 1 14 7 9 1 15 7 22 1 16 7 23 1 17 8 10 1 18 8 24 1 19 8 25 1 20 9 11 1 21 9 26 1 22 9 27 1 23 10 12 1 24 10 28 1 25 11 13 1 26 11 29 1 27 11 30 1 28 12 14 1 29 12 31 1 30 12 32 1 31 13 15 1 32 13 33 1 33 13 34 1 34 15 35 1 35 15 36 1 36 15 37 1 37 16 17 1 38 16 39 1 39 16 40 1 40 17 41 1 41 17 42 1 42 18 19 1 43 19 44 1 44 19 45 1 45 19 46 1