@MOLECULE (2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid 91 90 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.6635 -1.8363 4.3716 C.3 1 UNL1111111111 -0.4414 2 C 8.1849 -1.0799 3.1322 C.3 1 UNL1111111111 -0.2542 3 C 6.9371 -1.7429 2.5340 C.3 1 UNL1111111111 -0.2726 4 C 6.4869 -1.0130 1.2625 C.3 1 UNL1111111111 -0.2689 5 C 5.1698 -1.6006 0.7413 C.3 1 UNL1111111111 -0.2732 6 C 4.7193 -0.8579 -0.5195 C.3 1 UNL1111111111 -0.2661 7 C 3.3320 -1.3270 -0.9843 C.3 1 UNL1111111111 -0.2632 8 C 3.4558 -2.6989 -1.5724 C.2 1 UNL1111111111 0.6590 9 O 3.7228 -2.9987 -2.7134 O.2 1 UNL1111111111 -0.5569 10 O 3.2143 -3.6656 -0.6546 O.3 1 UNL1111111111 -0.5489 11 C 2.7880 -0.3514 -2.0570 C.3 1 UNL1111111111 0.1760 12 O 3.6382 -0.3218 -3.1734 O.3 1 UNL1111111111 -0.5640 13 C 1.3707 -0.7182 -2.5345 C.3 1 UNL1111111111 -0.3917 14 C 0.3326 -0.6219 -1.4193 C.3 1 UNL1111111111 0.1389 15 O 0.4233 0.7265 -0.9184 O.3 1 UNL1111111111 -0.4331 16 C 0.8071 0.9146 0.3555 C.2 1 UNL1111111111 0.5754 17 O 1.0421 0.0208 1.1277 O.2 1 UNL1111111111 -0.5168 18 C 0.8362 2.4119 0.6875 C.3 1 UNL1111111111 0.0339 19 C 1.0851 3.2612 -0.5697 C.3 1 UNL1111111111 -0.3105 20 C 0.9196 4.7652 -0.2931 C.3 1 UNL1111111111 -0.0549 21 C 1.5779 5.5618 -1.4265 C.3 1 UNL1111111111 -0.4549 22 C -0.5626 5.1428 -0.1809 C.3 1 UNL1111111111 -0.4575 23 N 1.8419 2.6247 1.7296 N.am 1 UNL1111111111 -0.6043 24 C 3.1882 2.3965 1.4959 C.2 1 UNL1111111111 0.4926 25 O 3.5992 2.0947 0.3961 O.2 1 UNL1111111111 -0.5302 26 C -1.1009 -0.7428 -1.9473 C.3 1 UNL1111111111 -0.3082 27 C -2.0961 -0.7956 -0.7835 C.3 1 UNL1111111111 -0.2646 28 C -3.5412 -0.8173 -1.2950 C.3 1 UNL1111111111 -0.2754 29 C -4.5229 -0.8282 -0.1163 C.3 1 UNL1111111111 -0.2736 30 C -5.9744 -0.8160 -0.6112 C.3 1 UNL1111111111 -0.2740 31 C -6.9473 -0.8143 0.5752 C.3 1 UNL1111111111 -0.2717 32 C -8.4010 -0.8036 0.0864 C.3 1 UNL1111111111 -0.2722 33 C -9.3728 -0.7709 1.2731 C.3 1 UNL1111111111 -0.2746 34 C -10.8262 -0.7877 0.7828 C.3 1 UNL1111111111 -0.2721 35 C -11.8016 -0.7349 1.9663 C.3 1 UNL1111111111 -0.2510 36 C -13.2508 -0.7847 1.4817 C.3 1 UNL1111111111 -0.4397 37 H 9.5525 -1.3662 4.8053 H 1 UNL1111111111 0.1389 38 H 7.8913 -1.8614 5.1481 H 1 UNL1111111111 0.1408 39 H 8.9232 -2.8736 4.1320 H 1 UNL1111111111 0.1435 40 H 7.9656 -0.0277 3.3934 H 1 UNL1111111111 0.1310 41 H 8.9927 -1.0421 2.3771 H 1 UNL1111111111 0.1348 42 H 7.1449 -2.8050 2.3061 H 1 UNL1111111111 0.1367 43 H 6.1205 -1.7496 3.2798 H 1 UNL1111111111 0.1356 44 H 6.3630 0.0672 1.4663 H 1 UNL1111111111 0.1378 45 H 7.2706 -1.0851 0.4854 H 1 UNL1111111111 0.1375 46 H 5.2848 -2.6812 0.5350 H 1 UNL1111111111 0.1422 47 H 4.3891 -1.5293 1.5235 H 1 UNL1111111111 0.1435 48 H 4.6826 0.2369 -0.3177 H 1 UNL1111111111 0.1798 49 H 5.4596 -0.9696 -1.3357 H 1 UNL1111111111 0.1568 50 H 2.6376 -1.3354 -0.1007 H 1 UNL1111111111 0.2010 51 H 3.3099 -4.5843 -1.0098 H 1 UNL1111111111 0.3520 52 H 2.8304 0.7017 -1.6802 H 1 UNL1111111111 0.1699 53 H 3.8281 -1.2349 -3.4916 H 1 UNL1111111111 0.3433 54 H 1.1097 -0.0292 -3.3666 H 1 UNL1111111111 0.1771 55 H 1.3619 -1.7313 -2.9796 H 1 UNL1111111111 0.1639 56 H 0.5292 -1.3518 -0.6012 H 1 UNL1111111111 0.1509 57 H -0.1760 2.6724 1.1100 H 1 UNL1111111111 0.1603 58 H 2.1017 3.0559 -0.9713 H 1 UNL1111111111 0.1876 59 H 0.3920 2.9495 -1.3776 H 1 UNL1111111111 0.1668 60 H 1.4330 5.0202 0.6651 H 1 UNL1111111111 0.1322 61 H 1.1447 5.3096 -2.4010 H 1 UNL1111111111 0.1487 62 H 1.4547 6.6394 -1.2803 H 1 UNL1111111111 0.1401 63 H 2.6545 5.3586 -1.4813 H 1 UNL1111111111 0.1502 64 H -1.0620 4.6049 0.6300 H 1 UNL1111111111 0.1350 65 H -0.6821 6.2139 0.0170 H 1 UNL1111111111 0.1424 66 H -1.1026 4.9220 -1.1091 H 1 UNL1111111111 0.1493 67 H 1.4943 2.7660 2.6634 H 1 UNL1111111111 0.3109 68 H 3.8466 2.5349 2.3660 H 1 UNL1111111111 0.1320 69 H -1.3313 0.1183 -2.6060 H 1 UNL1111111111 0.1569 70 H -1.1954 -1.6459 -2.5782 H 1 UNL1111111111 0.1498 71 H -1.9039 -1.6860 -0.1542 H 1 UNL1111111111 0.1412 72 H -1.9457 0.0794 -0.1217 H 1 UNL1111111111 0.1399 73 H -3.7312 0.0621 -1.9383 H 1 UNL1111111111 0.1371 74 H -3.7070 -1.7032 -1.9354 H 1 UNL1111111111 0.1366 75 H -4.3463 -1.7197 0.5144 H 1 UNL1111111111 0.1381 76 H -4.3399 0.0460 0.5364 H 1 UNL1111111111 0.1360 77 H -6.1516 0.0706 -1.2478 H 1 UNL1111111111 0.1360 78 H -6.1631 -1.6949 -1.2553 H 1 UNL1111111111 0.1373 79 H -6.7692 -1.7007 1.2125 H 1 UNL1111111111 0.1371 80 H -6.7577 0.0648 1.2188 H 1 UNL1111111111 0.1355 81 H -8.5747 0.0708 -0.5680 H 1 UNL1111111111 0.1363 82 H -8.5964 -1.6949 -0.5387 H 1 UNL1111111111 0.1371 83 H -9.1879 -1.6346 1.9386 H 1 UNL1111111111 0.1367 84 H -9.1902 0.1305 1.8872 H 1 UNL1111111111 0.1358 85 H -11.0088 0.0666 0.1050 H 1 UNL1111111111 0.1363 86 H -11.0122 -1.6964 0.1806 H 1 UNL1111111111 0.1369 87 H -11.6051 -1.5772 2.6563 H 1 UNL1111111111 0.1338 88 H -11.6317 0.1859 2.5557 H 1 UNL1111111111 0.1332 89 H -13.4900 0.0746 0.8458 H 1 UNL1111111111 0.1421 90 H -13.4478 -1.6915 0.8992 H 1 UNL1111111111 0.1426 91 H -13.9512 -0.7761 2.3238 H 1 UNL1111111111 0.1401 @BOND 1 1 2 1 2 1 37 1 3 1 38 1 4 1 39 1 5 2 3 1 6 2 40 1 7 2 41 1 8 3 4 1 9 3 42 1 10 3 43 1 11 4 5 1 12 4 44 1 13 4 45 1 14 5 6 1 15 5 46 1 16 5 47 1 17 6 7 1 18 6 48 1 19 6 49 1 20 7 11 1 21 7 8 1 22 7 50 1 23 8 9 2 24 8 10 1 25 10 51 1 26 11 12 1 27 11 13 1 28 11 52 1 29 12 53 1 30 13 14 1 31 13 54 1 32 13 55 1 33 14 15 1 34 14 26 1 35 14 56 1 36 15 16 1 37 16 18 1 38 16 17 2 39 18 23 1 40 18 19 1 41 18 57 1 42 19 20 1 43 19 58 1 44 19 59 1 45 20 21 1 46 20 22 1 47 20 60 1 48 21 61 1 49 21 62 1 50 21 63 1 51 22 64 1 52 22 65 1 53 22 66 1 54 23 24 am 55 23 67 1 56 24 25 2 57 24 68 1 58 26 27 1 59 26 69 1 60 26 70 1 61 27 28 1 62 27 71 1 63 27 72 1 64 28 29 1 65 28 73 1 66 28 74 1 67 29 30 1 68 29 75 1 69 29 76 1 70 30 31 1 71 30 77 1 72 30 78 1 73 31 32 1 74 31 79 1 75 31 80 1 76 32 33 1 77 32 81 1 78 32 82 1 79 33 34 1 80 33 83 1 81 33 84 1 82 34 35 1 83 34 85 1 84 34 86 1 85 35 36 1 86 35 87 1 87 35 88 1 88 36 89 1 89 36 90 1 90 36 91 1