@MOLECULE n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-n~5~,n~5~-dimethyl-l-glutamamide 89 88 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.8571 -0.3563 0.3573 C.3 1 UNL111111111 -0.3599 2 C 4.6179 -0.5794 -0.4784 C.2 1 UNL111111111 0.5937 3 O 4.5134 -0.2471 -1.6415 O.2 1 UNL111111111 -0.5413 4 C 7.0992 -0.4375 -0.5372 C.3 1 UNL111111111 -0.2525 5 C 8.3719 -0.2247 0.2890 C.3 1 UNL111111111 -0.2724 6 C 9.6173 -0.2861 -0.6056 C.3 1 UNL111111111 -0.2489 7 C 10.8893 -0.1053 0.2227 C.3 1 UNL111111111 -0.4423 8 N 3.5715 -1.2103 0.1701 N.am 1 UNL111111111 -0.5983 9 C 2.3042 -1.4381 -0.5116 C.3 1 UNL111111111 -0.0146 10 C 1.2036 -0.7456 0.3083 C.2 1 UNL111111111 0.5537 11 O 1.3395 -0.4575 1.4824 O.2 1 UNL111111111 -0.5618 12 C 1.9496 -2.9492 -0.6322 C.3 1 UNL111111111 -0.0813 13 C 1.9944 -3.6584 0.7223 C.3 1 UNL111111111 -0.4571 14 C 2.9027 -3.6180 -1.6236 C.3 1 UNL111111111 -0.4481 15 C -2.3697 -0.5427 -0.2021 C.2 1 UNL111111111 0.5466 16 C -0.2547 3.8568 0.6429 C.2 1 UNL111111111 0.5796 17 C -0.0391 2.3666 0.7706 C.3 1 UNL111111111 -0.3475 18 N 0.0367 -0.4726 -0.3629 N.am 1 UNL111111111 -0.5862 19 O -1.2985 4.3249 0.2243 O.2 1 UNL111111111 -0.5582 20 N 0.7450 4.6984 1.0931 N.am 1 UNL111111111 -0.4752 21 C 0.6294 6.1353 0.8327 C.3 1 UNL111111111 -0.2308 22 C 2.0924 4.2160 1.3915 C.3 1 UNL111111111 -0.2346 23 C -1.0943 0.1166 0.3517 C.3 1 UNL111111111 0.0112 24 C -1.1977 1.6315 0.0964 C.3 1 UNL111111111 -0.2710 25 O -2.4107 -1.0123 -1.3241 O.2 1 UNL111111111 -0.5561 26 N -3.4639 -0.5239 0.6222 N.am 1 UNL111111111 -0.5902 27 O -5.9937 0.6738 1.1886 O.3 1 UNL111111111 -0.5529 28 O -4.7352 1.3034 -3.4499 O.3 1 UNL111111111 -0.5358 29 C -4.7360 -1.1072 0.1784 C.3 1 UNL111111111 0.0295 30 C -5.7755 0.0331 -0.0497 C.3 1 UNL111111111 0.1090 31 C -4.3223 -3.2676 1.4944 C.3 1 UNL111111111 -0.0521 32 C -4.8732 -4.1178 2.6466 C.3 1 UNL111111111 -0.4607 33 C -4.1516 -4.1300 0.2393 C.3 1 UNL111111111 -0.4603 34 C -5.2736 -2.0842 1.2386 C.3 1 UNL111111111 -0.3209 35 C -5.2099 0.3715 -2.5008 C.3 1 UNL111111111 -0.0148 36 C -6.3563 2.1840 -1.2025 C.3 1 UNL111111111 -0.4353 37 C -5.3398 1.0454 -1.1231 C.3 1 UNL111111111 -0.1950 38 H 5.7918 0.6447 0.8342 H 1 UNL111111111 0.1717 39 H 5.9357 -1.0857 1.1858 H 1 UNL111111111 0.1576 40 H 7.1334 -1.4155 -1.0547 H 1 UNL111111111 0.1460 41 H 7.0283 0.3171 -1.3477 H 1 UNL111111111 0.1605 42 H 8.3319 0.7513 0.8076 H 1 UNL111111111 0.1357 43 H 8.4435 -0.9898 1.0845 H 1 UNL111111111 0.1358 44 H 9.6511 -1.2519 -1.1445 H 1 UNL111111111 0.1359 45 H 9.5605 0.4948 -1.3878 H 1 UNL111111111 0.1373 46 H 10.8932 0.8557 0.7487 H 1 UNL111111111 0.1419 47 H 10.9929 -0.8936 0.9765 H 1 UNL111111111 0.1415 48 H 11.7833 -0.1367 -0.4103 H 1 UNL111111111 0.1423 49 H 3.5912 -1.4282 1.1557 H 1 UNL111111111 0.3251 50 H 2.3589 -0.9923 -1.5478 H 1 UNL111111111 0.1930 51 H 0.9067 -3.0208 -1.0351 H 1 UNL111111111 0.1429 52 H 1.4311 -3.1109 1.4888 H 1 UNL111111111 0.1560 53 H 1.5617 -4.6634 0.6539 H 1 UNL111111111 0.1502 54 H 3.0207 -3.7747 1.0869 H 1 UNL111111111 0.1469 55 H 2.6855 -4.6866 -1.7260 H 1 UNL111111111 0.1472 56 H 2.8326 -3.1678 -2.6212 H 1 UNL111111111 0.1516 57 H 3.9475 -3.5230 -1.3027 H 1 UNL111111111 0.1551 58 H 0.9248 2.0587 0.3141 H 1 UNL111111111 0.1750 59 H 0.0414 2.0821 1.8417 H 1 UNL111111111 0.1773 60 H -0.1248 -0.7168 -1.3337 H 1 UNL111111111 0.3390 61 H -0.4256 6.4037 0.6181 H 1 UNL111111111 0.1776 62 H 0.9443 6.7064 1.7220 H 1 UNL111111111 0.1402 63 H 1.2374 6.4456 -0.0331 H 1 UNL111111111 0.1347 64 H 2.6396 3.9191 0.4789 H 1 UNL111111111 0.1401 65 H 2.6789 5.0004 1.9015 H 1 UNL111111111 0.1513 66 H 2.0523 3.3494 2.0763 H 1 UNL111111111 0.1513 67 H -0.9811 -0.0813 1.4542 H 1 UNL111111111 0.1799 68 H -2.1649 2.0258 0.4720 H 1 UNL111111111 0.1644 69 H -1.2017 1.8480 -0.9921 H 1 UNL111111111 0.1685 70 H -3.4283 -0.1921 1.5724 H 1 UNL111111111 0.3184 71 H -5.3620 1.4071 1.3250 H 1 UNL111111111 0.3179 72 H -3.8340 1.5990 -3.2093 H 1 UNL111111111 0.3127 73 H -4.5754 -1.6566 -0.7902 H 1 UNL111111111 0.1725 74 H -6.7734 -0.4041 -0.2804 H 1 UNL111111111 0.1447 75 H -3.3211 -2.8717 1.7921 H 1 UNL111111111 0.1307 76 H -5.8498 -4.5468 2.3982 H 1 UNL111111111 0.1460 77 H -4.2007 -4.9502 2.8806 H 1 UNL111111111 0.1445 78 H -4.9937 -3.5271 3.5607 H 1 UNL111111111 0.1427 79 H -3.5605 -5.0270 0.4526 H 1 UNL111111111 0.1426 80 H -5.1153 -4.4594 -0.1606 H 1 UNL111111111 0.1436 81 H -3.6275 -3.5828 -0.5553 H 1 UNL111111111 0.1553 82 H -5.4652 -1.5402 2.1859 H 1 UNL111111111 0.1600 83 H -6.2636 -2.4615 0.9194 H 1 UNL111111111 0.1513 84 H -4.5237 -0.4969 -2.4814 H 1 UNL111111111 0.1332 85 H -6.1876 0.0684 -2.9154 H 1 UNL111111111 0.1394 86 H -7.3698 1.8151 -1.3953 H 1 UNL111111111 0.1458 87 H -6.3934 2.7657 -0.2750 H 1 UNL111111111 0.1449 88 H -6.1020 2.8726 -2.0217 H 1 UNL111111111 0.1643 89 H -4.3437 1.4707 -0.8457 H 1 UNL111111111 0.1489 @BOND 1 1 4 1 2 1 38 1 3 1 39 1 4 2 1 1 5 3 2 2 6 4 5 1 7 4 40 1 8 4 41 1 9 5 6 1 10 5 42 1 11 5 43 1 12 6 7 1 13 6 44 1 14 6 45 1 15 7 46 1 16 7 47 1 17 7 48 1 18 8 2 am 19 8 49 1 20 9 8 1 21 9 50 1 22 10 9 1 23 11 10 2 24 12 9 1 25 12 14 1 26 12 51 1 27 13 12 1 28 13 52 1 29 13 53 1 30 13 54 1 31 14 55 1 32 14 56 1 33 14 57 1 34 15 25 2 35 15 23 1 36 16 20 am 37 16 17 1 38 17 58 1 39 17 59 1 40 18 10 am 41 18 60 1 42 19 16 2 43 20 21 1 44 21 61 1 45 21 62 1 46 21 63 1 47 22 20 1 48 22 64 1 49 22 65 1 50 22 66 1 51 23 18 1 52 23 67 1 53 24 23 1 54 24 17 1 55 24 68 1 56 24 69 1 57 26 15 am 58 26 70 1 59 27 71 1 60 28 72 1 61 29 26 1 62 29 73 1 63 30 27 1 64 30 29 1 65 30 74 1 66 31 32 1 67 31 75 1 68 32 76 1 69 32 77 1 70 32 78 1 71 33 31 1 72 33 79 1 73 33 80 1 74 33 81 1 75 34 31 1 76 34 29 1 77 34 82 1 78 34 83 1 79 35 28 1 80 35 84 1 81 35 85 1 82 36 86 1 83 36 87 1 84 36 88 1 85 37 30 1 86 37 35 1 87 37 36 1 88 37 89 1