@MOLECULE 3r-hydroxydecanoyl-s-n-acetyl cysteamine 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3210 0.0062 -0.4958 C.2 1 UNL111111111111 0.4510 2 C 0.0074 -0.5094 -0.9990 C.3 1 UNL111111111111 -0.4426 3 C -1.1339 0.0828 -0.1428 C.3 1 UNL111111111111 0.1816 4 C -2.4950 -0.2946 -0.7410 C.3 1 UNL111111111111 -0.3404 5 C -3.6318 0.2882 0.1059 C.3 1 UNL111111111111 -0.2603 6 C -4.9903 -0.1629 -0.4429 C.3 1 UNL111111111111 -0.2757 7 C -6.1400 0.4209 0.3877 C.3 1 UNL111111111111 -0.2737 8 C -7.4917 -0.0231 -0.1861 C.3 1 UNL111111111111 -0.2738 9 C -8.6528 0.5170 0.6593 C.3 1 UNL111111111111 -0.2500 10 C -9.9983 0.1366 0.0403 C.3 1 UNL111111111111 -0.4399 11 O 1.6442 1.1601 -0.5372 O.2 1 UNL111111111111 -0.4445 12 O -1.0186 -0.3769 1.1797 O.3 1 UNL111111111111 -0.5465 13 S 2.4376 -1.2653 0.1488 S.3 1 UNL111111111111 -0.0807 14 C 3.9187 -0.2997 0.5955 C.3 1 UNL111111111111 -0.3440 15 C 4.7307 0.1044 -0.6451 C.3 1 UNL111111111111 -0.0494 16 N 5.8673 0.9426 -0.2517 N.am 1 UNL111111111111 -0.6203 17 C 7.0453 0.3475 0.1677 C.2 1 UNL111111111111 0.6085 18 C 8.1390 1.2893 0.5881 C.3 1 UNL111111111111 -0.5298 19 O 7.1619 -0.8600 0.1615 O.2 1 UNL111111111111 -0.5339 20 H -0.1192 -0.1961 -2.0589 H 1 UNL111111111111 0.1843 21 H -0.0591 -1.6144 -1.0091 H 1 UNL111111111111 0.1760 22 H -1.0178 1.1865 -0.0185 H 1 UNL111111111111 0.1604 23 H -2.5698 0.0776 -1.7800 H 1 UNL111111111111 0.1489 24 H -2.5971 -1.3939 -0.8042 H 1 UNL111111111111 0.1437 25 H -3.5184 -0.0275 1.1622 H 1 UNL111111111111 0.1524 26 H -3.5718 1.3929 0.1204 H 1 UNL111111111111 0.1420 27 H -5.0948 0.1466 -1.4997 H 1 UNL111111111111 0.1357 28 H -5.0521 -1.2671 -0.4427 H 1 UNL111111111111 0.1346 29 H -6.0487 0.0997 1.4420 H 1 UNL111111111111 0.1390 30 H -6.0783 1.5250 0.4006 H 1 UNL111111111111 0.1382 31 H -7.5918 0.3265 -1.2305 H 1 UNL111111111111 0.1360 32 H -7.5417 -1.1271 -0.2304 H 1 UNL111111111111 0.1359 33 H -8.5844 0.1215 1.6902 H 1 UNL111111111111 0.1344 34 H -8.5774 1.6170 0.7509 H 1 UNL111111111111 0.1344 35 H -10.8327 0.4765 0.6635 H 1 UNL111111111111 0.1411 36 H -10.1237 0.5862 -0.9509 H 1 UNL111111111111 0.1421 37 H -10.0944 -0.9486 -0.0759 H 1 UNL111111111111 0.1424 38 H -1.1825 -1.3379 1.2477 H 1 UNL111111111111 0.3164 39 H 3.6287 0.5935 1.1821 H 1 UNL111111111111 0.1749 40 H 4.5377 -0.9345 1.2650 H 1 UNL111111111111 0.1868 41 H 5.1144 -0.8028 -1.1768 H 1 UNL111111111111 0.1710 42 H 4.1054 0.6768 -1.3691 H 1 UNL111111111111 0.1486 43 H 5.7075 1.9302 -0.1747 H 1 UNL111111111111 0.3111 44 H 7.8469 1.9059 1.4471 H 1 UNL111111111111 0.1720 45 H 9.0329 0.7161 0.8865 H 1 UNL111111111111 0.1881 46 H 8.4417 1.9570 -0.2290 H 1 UNL111111111111 0.1741 @BOND 1 1 2 1 2 1 11 2 3 1 13 1 4 2 3 1 5 2 20 1 6 2 21 1 7 3 4 1 8 3 12 1 9 3 22 1 10 4 5 1 11 4 23 1 12 4 24 1 13 5 6 1 14 5 25 1 15 5 26 1 16 6 7 1 17 6 27 1 18 6 28 1 19 7 8 1 20 7 29 1 21 7 30 1 22 8 9 1 23 8 31 1 24 8 32 1 25 9 10 1 26 9 33 1 27 9 34 1 28 10 35 1 29 10 36 1 30 10 37 1 31 12 38 1 32 13 14 1 33 14 15 1 34 14 39 1 35 14 40 1 36 15 16 1 37 15 41 1 38 15 42 1 39 16 17 am 40 16 43 1 41 17 18 1 42 17 19 2 43 18 44 1 44 18 45 1 45 18 46 1