@MOLECULE n-(4-morpholinylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-o-methyl-l-tyrosinamide 90 92 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.6757 -3.6295 0.4521 C.2 1 UNL111111111 0.5804 2 O 0.3493 -3.7197 1.6197 O.2 1 UNL111111111 -0.5628 3 C 2.0193 -4.1575 -0.0540 C.3 1 UNL111111111 -0.2041 4 N 2.4333 -3.3637 -1.2302 N.3 1 UNL111111111 -0.4248 5 O 4.1805 -1.9525 -2.9255 O.3 1 UNL111111111 -0.3782 6 C 2.9935 -2.0511 -0.8235 C.3 1 UNL111111111 -0.1618 7 C 3.3978 -4.0920 -2.0856 C.3 1 UNL111111111 -0.1534 8 C 3.2689 -1.2445 -2.1055 C.3 1 UNL111111111 -0.0465 9 C 3.6754 -3.2112 -3.3229 C.3 1 UNL111111111 -0.0429 10 N -0.1665 -3.0882 -0.4952 N.am 1 UNL111111111 -0.5685 11 C -1.3516 -2.3465 -0.0838 C.3 1 UNL111111111 0.0444 12 C -2.5734 -2.7682 -0.9051 C.3 1 UNL111111111 -0.4649 13 C -1.0823 -0.8624 -0.3897 C.2 1 UNL111111111 0.5464 14 O -0.3650 -0.5133 -1.3105 O.2 1 UNL111111111 -0.5664 15 N -1.6790 0.0720 0.4239 N.am 1 UNL111111111 -0.5876 16 C -1.6546 1.4852 0.0333 C.3 1 UNL111111111 0.0189 17 C -2.9031 2.2091 0.5712 C.3 1 UNL111111111 -0.2983 18 C -4.1393 1.5209 0.0873 C.ar 1 UNL111111111 -0.0673 19 C -4.5203 1.6377 -1.2565 C.ar 1 UNL111111111 -0.0988 20 C -5.6225 0.9504 -1.7365 C.ar 1 UNL111111111 -0.2396 21 C -6.3539 0.1399 -0.8508 C.ar 1 UNL111111111 0.2404 22 O -7.3955 -0.4891 -1.4557 O.3 1 UNL111111111 -0.3143 23 C -8.2128 -1.3219 -0.6453 C.3 1 UNL111111111 -0.2032 24 C -6.0025 0.0265 0.4925 C.ar 1 UNL111111111 -0.2945 25 C -4.8891 0.7287 0.9538 C.ar 1 UNL111111111 -0.1102 26 C -0.3900 2.1592 0.6090 C.2 1 UNL111111111 0.5518 27 O -0.4508 3.0614 1.4200 O.2 1 UNL111111111 -0.5542 28 N 0.8005 1.7196 0.0829 N.am 1 UNL111111111 -0.5750 29 C 2.0679 2.1684 0.6584 C.3 1 UNL111111111 -0.0131 30 C 2.8807 1.0137 1.2722 C.3 1 UNL111111111 -0.3267 31 C 2.0651 0.1764 2.2717 C.3 1 UNL111111111 -0.0829 32 C 2.9409 -0.9734 2.8051 C.3 1 UNL111111111 -0.2751 33 C 2.1315 -1.8490 3.7689 C.3 1 UNL111111111 -0.2699 34 C 1.5959 -1.0126 4.9375 C.3 1 UNL111111111 -0.2624 35 C 0.7470 0.1547 4.4167 C.3 1 UNL111111111 -0.2602 36 C 1.5586 1.0262 3.4490 C.3 1 UNL111111111 -0.2871 37 C 2.8538 2.7675 -0.5221 C.2 1 UNL111111111 0.4650 38 O 3.3709 2.0155 -1.3163 O.2 1 UNL111111111 -0.4852 39 C 2.9686 4.2633 -0.7033 C.3 1 UNL111111111 -0.2574 40 C 2.0579 5.0802 0.2011 C.3 1 UNL111111111 -0.4498 41 C 2.6700 4.5983 -2.1838 C.3 1 UNL111111111 0.0171 42 O 3.6738 4.0846 -3.0239 O.3 1 UNL111111111 -0.5600 43 H 2.7486 -4.1404 0.7871 H 1 UNL111111111 0.1590 44 H 1.8883 -5.2265 -0.3363 H 1 UNL111111111 0.1660 45 H 2.2412 -1.5210 -0.1993 H 1 UNL111111111 0.1481 46 H 3.9250 -2.1475 -0.2273 H 1 UNL111111111 0.1304 47 H 4.3497 -4.3213 -1.5626 H 1 UNL111111111 0.1288 48 H 2.9463 -5.0547 -2.4019 H 1 UNL111111111 0.1374 49 H 3.8008 -0.2960 -1.8998 H 1 UNL111111111 0.1603 50 H 2.3389 -1.0341 -2.6629 H 1 UNL111111111 0.1383 51 H 2.7649 -3.0728 -3.9322 H 1 UNL111111111 0.1301 52 H 4.4873 -3.6221 -3.9460 H 1 UNL111111111 0.1342 53 H 0.1894 -2.9085 -1.4376 H 1 UNL111111111 0.3511 54 H -1.5408 -2.5154 1.0139 H 1 UNL111111111 0.1858 55 H -2.4245 -2.5934 -1.9796 H 1 UNL111111111 0.1670 56 H -2.7744 -3.8410 -0.7794 H 1 UNL111111111 0.1681 57 H -3.4744 -2.2228 -0.6031 H 1 UNL111111111 0.1550 58 H -2.2960 -0.1821 1.1801 H 1 UNL111111111 0.3233 59 H -1.6214 1.5637 -1.0920 H 1 UNL111111111 0.1813 60 H -2.8650 2.2717 1.6804 H 1 UNL111111111 0.1757 61 H -2.8798 3.2733 0.2500 H 1 UNL111111111 0.1753 62 H -3.9416 2.2697 -1.9308 H 1 UNL111111111 0.1574 63 H -4.6139 0.6549 2.0057 H 1 UNL111111111 0.1516 64 H -5.9318 1.0243 -2.7763 H 1 UNL111111111 0.1735 65 H -6.5761 -0.5871 1.1778 H 1 UNL111111111 0.1620 66 H -8.9588 -1.6843 -1.3662 H 1 UNL111111111 0.1558 67 H -7.6369 -2.1583 -0.2379 H 1 UNL111111111 0.1335 68 H -8.6984 -0.7437 0.1469 H 1 UNL111111111 0.1357 69 H 0.8321 0.9028 -0.5284 H 1 UNL111111111 0.3499 70 H 1.8726 2.9403 1.4527 H 1 UNL111111111 0.1838 71 H 3.2679 0.3555 0.4669 H 1 UNL111111111 0.1621 72 H 3.7775 1.4283 1.7710 H 1 UNL111111111 0.1531 73 H 1.1825 -0.2632 1.7484 H 1 UNL111111111 0.1355 74 H 3.3221 -1.5877 1.9709 H 1 UNL111111111 0.1243 75 H 3.8295 -0.5664 3.3212 H 1 UNL111111111 0.1370 76 H 1.2892 -2.3317 3.2308 H 1 UNL111111111 0.1621 77 H 2.7545 -2.6786 4.1470 H 1 UNL111111111 0.1288 78 H 0.9947 -1.6477 5.6127 H 1 UNL111111111 0.1277 79 H 2.4361 -0.6274 5.5434 H 1 UNL111111111 0.1303 80 H -0.1544 -0.2337 3.9076 H 1 UNL111111111 0.1336 81 H 0.3825 0.7672 5.2605 H 1 UNL111111111 0.1257 82 H 2.4077 1.4926 3.9782 H 1 UNL111111111 0.1341 83 H 0.9261 1.8592 3.0848 H 1 UNL111111111 0.1470 84 H 4.0396 4.5403 -0.5024 H 1 UNL111111111 0.1818 85 H 2.3592 5.0240 1.2551 H 1 UNL111111111 0.1533 86 H 2.0722 6.1438 -0.0689 H 1 UNL111111111 0.1523 87 H 1.0090 4.7489 0.1478 H 1 UNL111111111 0.1719 88 H 1.6904 4.2001 -2.5033 H 1 UNL111111111 0.1212 89 H 2.7068 5.6870 -2.3702 H 1 UNL111111111 0.1376 90 H 3.8047 3.1244 -2.8311 H 1 UNL111111111 0.3450 @BOND 1 1 3 1 2 1 10 am 3 2 1 2 4 3 43 1 5 3 44 1 6 4 7 1 7 4 3 1 8 5 9 1 9 6 4 1 10 6 45 1 11 6 46 1 12 7 47 1 13 7 48 1 14 8 6 1 15 8 5 1 16 8 49 1 17 8 50 1 18 9 7 1 19 9 51 1 20 9 52 1 21 10 53 1 22 11 10 1 23 11 12 1 24 11 54 1 25 12 55 1 26 12 56 1 27 12 57 1 28 13 11 1 29 14 13 2 30 15 13 am 31 15 58 1 32 16 15 1 33 16 59 1 34 17 16 1 35 17 18 1 36 17 60 1 37 17 61 1 38 18 25 ar 39 19 18 ar 40 19 20 ar 41 19 62 1 42 20 21 ar 43 20 64 1 44 21 24 ar 45 21 22 1 46 22 23 1 47 23 66 1 48 23 67 1 49 23 68 1 50 24 65 1 51 25 24 ar 52 25 63 1 53 26 27 2 54 26 16 1 55 28 26 am 56 28 69 1 57 29 28 1 58 29 70 1 59 30 29 1 60 30 31 1 61 30 71 1 62 30 72 1 63 31 36 1 64 31 73 1 65 32 31 1 66 32 33 1 67 32 74 1 68 32 75 1 69 33 34 1 70 33 76 1 71 33 77 1 72 34 35 1 73 34 78 1 74 34 79 1 75 35 80 1 76 35 81 1 77 36 35 1 78 36 82 1 79 36 83 1 80 37 39 1 81 37 38 2 82 37 29 1 83 39 40 1 84 39 41 1 85 39 84 1 86 40 85 1 87 40 86 1 88 40 87 1 89 41 88 1 90 41 89 1 91 42 41 1 92 42 90 1