@MOLECULE (2r)-1-[(2e)-2-decenoyl]-5-hydroxy-4-(1-hydroxyethyl)-2-isobutyl-3-pyrrolidinone 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2245 -0.2186 -1.3289 O.3 1 UNL1111111111 -0.6018 2 O 3.4276 -2.3053 -0.6230 O.2 1 UNL1111111111 -0.4299 3 O 0.4939 -2.9375 1.6034 O.3 1 UNL1111111111 -0.5638 4 O 1.6276 1.7653 1.9728 O.2 1 UNL1111111111 -0.5025 5 N 1.1472 0.0643 0.5647 N.am 1 UNL1111111111 -0.5895 6 C 2.5340 -0.1918 0.1492 C.3 1 UNL1111111111 0.0035 7 C 1.0235 -2.0509 -0.5724 C.3 1 UNL1111111111 -0.3371 8 C 0.2034 -0.8163 -0.1269 C.3 1 UNL1111111111 0.3609 9 C 2.4677 -1.6333 -0.3774 C.2 1 UNL1111111111 0.4480 10 C 2.9950 0.7162 -1.0052 C.3 1 UNL1111111111 -0.3157 11 C 0.5931 -3.2847 0.2416 C.3 1 UNL1111111111 0.1981 12 C 3.6482 2.0158 -0.5017 C.3 1 UNL1111111111 -0.0635 13 C 0.7840 1.0946 1.4197 C.2 1 UNL1111111111 0.6106 14 C 1.5136 -4.4791 0.0461 C.3 1 UNL1111111111 -0.5098 15 C 3.6489 3.0583 -1.6263 C.3 1 UNL1111111111 -0.4542 16 C 5.0815 1.7532 -0.0265 C.3 1 UNL1111111111 -0.4505 17 C -0.6749 1.2805 1.6030 C.2 1 UNL1111111111 -0.3290 18 C -1.3108 2.3137 1.0452 C.2 1 UNL1111111111 -0.0423 19 C -2.7776 2.5333 1.1996 C.3 1 UNL1111111111 -0.2919 20 C -3.4446 2.8529 -0.1471 C.3 1 UNL1111111111 -0.2599 21 C -3.1081 1.8510 -1.2617 C.3 1 UNL1111111111 -0.2681 22 C -3.3423 0.3851 -0.8765 C.3 1 UNL1111111111 -0.2763 23 C -4.8310 0.0672 -0.7014 C.3 1 UNL1111111111 -0.2717 24 C -5.0255 -1.4130 -0.3438 C.3 1 UNL1111111111 -0.2525 25 C -6.5067 -1.7348 -0.1487 C.3 1 UNL1111111111 -0.4430 26 H 3.2192 -0.1009 1.0300 H 1 UNL1111111111 0.1842 27 H 0.8520 -2.2506 -1.6619 H 1 UNL1111111111 0.2072 28 H -0.6870 -1.0485 0.5053 H 1 UNL1111111111 0.1498 29 H 3.7109 0.1706 -1.6517 H 1 UNL1111111111 0.1570 30 H 2.1275 0.9521 -1.6549 H 1 UNL1111111111 0.1625 31 H -0.4679 -3.5487 0.0018 H 1 UNL1111111111 0.1462 32 H 3.0534 2.4165 0.3586 H 1 UNL1111111111 0.1609 33 H 1.1951 -5.3220 0.6729 H 1 UNL1111111111 0.1617 34 H 1.5213 -4.8205 -0.9957 H 1 UNL1111111111 0.1620 35 H 2.5570 -4.2564 0.3106 H 1 UNL1111111111 0.1748 36 H -0.6923 0.6264 -1.1729 H 1 UNL1111111111 0.3356 37 H 4.1959 2.7030 -2.5056 H 1 UNL1111111111 0.1434 38 H 4.1239 3.9896 -1.2973 H 1 UNL1111111111 0.1454 39 H 2.6296 3.3051 -1.9419 H 1 UNL1111111111 0.1383 40 H 5.5360 2.6674 0.3713 H 1 UNL1111111111 0.1447 41 H 5.1086 1.0052 0.7734 H 1 UNL1111111111 0.1436 42 H 5.7184 1.3912 -0.8408 H 1 UNL1111111111 0.1437 43 H 1.3690 -2.7450 1.9937 H 1 UNL1111111111 0.3245 44 H -1.1560 0.5452 2.2451 H 1 UNL1111111111 0.1820 45 H -0.7885 3.0569 0.4375 H 1 UNL1111111111 0.1539 46 H -3.2772 1.6579 1.6646 H 1 UNL1111111111 0.1550 47 H -2.9511 3.3726 1.9094 H 1 UNL1111111111 0.1589 48 H -3.1529 3.8699 -0.4767 H 1 UNL1111111111 0.1374 49 H -4.5421 2.8910 -0.0043 H 1 UNL1111111111 0.1385 50 H -2.0547 1.9884 -1.5758 H 1 UNL1111111111 0.1273 51 H -3.7103 2.0953 -2.1601 H 1 UNL1111111111 0.1391 52 H -2.7950 0.1382 0.0531 H 1 UNL1111111111 0.1395 53 H -2.9114 -0.2727 -1.6595 H 1 UNL1111111111 0.1449 54 H -5.2674 0.7049 0.0890 H 1 UNL1111111111 0.1357 55 H -5.3852 0.3107 -1.6261 H 1 UNL1111111111 0.1354 56 H -4.4613 -1.6573 0.5763 H 1 UNL1111111111 0.1360 57 H -4.6010 -2.0532 -1.1402 H 1 UNL1111111111 0.1359 58 H -7.0840 -1.5327 -1.0578 H 1 UNL1111111111 0.1430 59 H -6.9444 -1.1372 0.6586 H 1 UNL1111111111 0.1424 60 H -6.6544 -2.7901 0.1063 H 1 UNL1111111111 0.1418 @BOND 1 1 8 1 2 1 36 1 3 2 9 2 4 3 11 1 5 3 43 1 6 4 13 2 7 5 6 1 8 5 8 1 9 5 13 am 10 6 9 1 11 6 10 1 12 6 26 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 27 1 17 8 28 1 18 10 12 1 19 10 29 1 20 10 30 1 21 11 14 1 22 11 31 1 23 12 15 1 24 12 16 1 25 12 32 1 26 13 17 1 27 14 33 1 28 14 34 1 29 14 35 1 30 15 37 1 31 15 38 1 32 15 39 1 33 16 40 1 34 16 41 1 35 16 42 1 36 17 18 2 37 17 44 1 38 18 19 1 39 18 45 1 40 19 20 1 41 19 46 1 42 19 47 1 43 20 21 1 44 20 48 1 45 20 49 1 46 21 22 1 47 21 50 1 48 21 51 1 49 22 23 1 50 22 52 1 51 22 53 1 52 23 24 1 53 23 54 1 54 23 55 1 55 24 25 1 56 24 56 1 57 24 57 1 58 25 58 1 59 25 59 1 60 25 60 1