@MOLECULE n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-l-tryptophanamide 92 96 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.6120 -1.4995 -1.8613 C.3 1 UNL111111111 -0.4665 2 C -1.0336 -2.6297 -1.0210 C.2 1 UNL111111111 0.1146 3 C -2.1522 -3.5241 -1.3546 C.ar 1 UNL111111111 -0.0720 4 C -3.0110 -3.5401 -2.4411 C.ar 1 UNL111111111 -0.1200 5 C -4.0238 -4.5031 -2.4712 C.ar 1 UNL111111111 -0.1697 6 C -4.1651 -5.4261 -1.4354 C.ar 1 UNL111111111 -0.1243 7 C -3.2942 -5.4214 -0.3404 C.ar 1 UNL111111111 -0.1811 8 C -2.2912 -4.4715 -0.3095 C.ar 1 UNL111111111 0.0175 9 C -1.2240 -4.2300 0.7242 C.3 1 UNL111111111 -0.2625 10 C -0.5164 -3.0160 0.1735 C.2 1 UNL111111111 -0.2264 11 C 0.6122 -2.3809 0.8559 C.2 1 UNL111111111 0.6246 12 O 1.7620 -2.4066 0.4509 O.2 1 UNL111111111 -0.5588 13 N 0.3005 -1.6938 2.0172 N.am 1 UNL111111111 -0.6071 14 C 1.3304 -0.9096 2.7046 C.3 1 UNL111111111 0.0471 15 C 0.9472 -0.6930 4.1644 C.3 1 UNL111111111 -0.4560 16 C 1.4363 0.4623 1.9956 C.2 1 UNL111111111 0.5516 17 O 1.0531 1.4998 2.5050 O.2 1 UNL111111111 -0.5805 18 N 1.9418 0.4163 0.7237 N.am 1 UNL111111111 -0.5843 19 C 1.9676 1.5992 -0.1326 C.3 1 UNL111111111 0.0303 20 C 0.5194 1.8698 -0.6114 C.2 1 UNL111111111 0.5494 21 O 0.1202 1.5531 -1.7157 O.2 1 UNL111111111 -0.5725 22 C 2.8453 1.3533 -1.3762 C.3 1 UNL111111111 -0.2692 23 C 4.2407 1.0764 -0.9892 C.ar 1 UNL111111111 -0.1098 24 C 5.2213 2.0104 -0.6937 C.ar 1 UNL111111111 -0.0421 25 C 4.8253 -0.2281 -0.8254 C.ar 1 UNL111111111 -0.0834 26 N 6.4060 1.3529 -0.3491 N.ar 1 UNL111111111 -0.3811 27 C 6.1831 -0.0221 -0.4225 C.ar 1 UNL111111111 0.1051 28 C 4.3497 -1.5362 -0.9695 C.ar 1 UNL111111111 -0.0987 29 C 7.0550 -1.0896 -0.1682 C.ar 1 UNL111111111 -0.2264 30 C 5.2109 -2.5872 -0.7156 C.ar 1 UNL111111111 -0.1856 31 C 6.5483 -2.3662 -0.3207 C.ar 1 UNL111111111 -0.1114 32 N -0.2738 2.5282 0.2925 N.am 1 UNL111111111 -0.5802 33 C -1.6922 2.7506 0.0209 C.3 1 UNL111111111 -0.0208 34 C -2.5693 2.1569 1.1373 C.3 1 UNL111111111 -0.3240 35 C -2.8595 0.6685 0.8806 C.3 1 UNL111111111 -0.0886 36 C -4.0378 0.5219 -0.0997 C.3 1 UNL111111111 -0.2705 37 C -4.3672 -0.9557 -0.3372 C.3 1 UNL111111111 -0.2697 38 C -4.6756 -1.6666 0.9861 C.3 1 UNL111111111 -0.2611 39 C -3.4960 -1.5206 1.9569 C.3 1 UNL111111111 -0.2693 40 C -3.1873 -0.0397 2.2069 C.3 1 UNL111111111 -0.2788 41 C -1.8975 4.2757 -0.0187 C.2 1 UNL111111111 0.4580 42 O -1.7653 4.9317 0.9835 O.2 1 UNL111111111 -0.4647 43 C -2.2962 4.8810 -1.3453 C.3 1 UNL111111111 -0.2529 44 C -1.2131 4.6225 -2.3883 C.3 1 UNL111111111 -0.4477 45 C -2.5263 6.3985 -1.2012 C.3 1 UNL111111111 0.0138 46 O -3.4967 6.6547 -0.2129 O.3 1 UNL111111111 -0.5570 47 H -0.7128 -1.7107 -2.9359 H 1 UNL111111111 0.1685 48 H -1.2091 -0.5892 -1.6623 H 1 UNL111111111 0.1868 49 H 0.4397 -1.2085 -1.6905 H 1 UNL111111111 0.1845 50 H -2.9044 -2.8206 -3.2497 H 1 UNL111111111 0.1577 51 H -4.7113 -4.5310 -3.3144 H 1 UNL111111111 0.1523 52 H -4.9641 -6.1648 -1.4789 H 1 UNL111111111 0.1492 53 H -3.4083 -6.1466 0.4598 H 1 UNL111111111 0.1565 54 H -1.6396 -4.0663 1.7347 H 1 UNL111111111 0.1661 55 H -0.5338 -5.0952 0.8071 H 1 UNL111111111 0.1796 56 H -0.6540 -1.5755 2.3243 H 1 UNL111111111 0.3223 57 H 2.3183 -1.4475 2.6305 H 1 UNL111111111 0.1819 58 H 0.0175 -0.1144 4.2657 H 1 UNL111111111 0.1675 59 H 0.8236 -1.6433 4.6960 H 1 UNL111111111 0.1545 60 H 1.7205 -0.1117 4.6873 H 1 UNL111111111 0.1696 61 H 2.3031 -0.4553 0.3283 H 1 UNL111111111 0.3554 62 H 2.3536 2.4809 0.4478 H 1 UNL111111111 0.1726 63 H 2.4234 0.5175 -1.9818 H 1 UNL111111111 0.1785 64 H 2.7776 2.2354 -2.0502 H 1 UNL111111111 0.1682 65 H 5.1652 3.0823 -0.7013 H 1 UNL111111111 0.1646 66 H 7.2603 1.7876 -0.0966 H 1 UNL111111111 0.3111 67 H 3.3179 -1.7220 -1.2699 H 1 UNL111111111 0.1679 68 H 8.0800 -0.9152 0.1353 H 1 UNL111111111 0.1547 69 H 4.8553 -3.6118 -0.8131 H 1 UNL111111111 0.1572 70 H 7.1868 -3.2283 -0.1329 H 1 UNL111111111 0.1476 71 H 0.0376 2.6674 1.2589 H 1 UNL111111111 0.3559 72 H -1.9669 2.2925 -0.9698 H 1 UNL111111111 0.1821 73 H -2.0683 2.2940 2.1188 H 1 UNL111111111 0.1682 74 H -3.5157 2.7232 1.2282 H 1 UNL111111111 0.1568 75 H -1.9553 0.1866 0.4368 H 1 UNL111111111 0.1383 76 H -4.9287 1.0427 0.2983 H 1 UNL111111111 0.1394 77 H -3.7971 1.0107 -1.0611 H 1 UNL111111111 0.1292 78 H -5.2254 -1.0499 -1.0266 H 1 UNL111111111 0.1287 79 H -3.5186 -1.4556 -0.8425 H 1 UNL111111111 0.1424 80 H -5.5931 -1.2474 1.4375 H 1 UNL111111111 0.1353 81 H -4.8842 -2.7360 0.8001 H 1 UNL111111111 0.1305 82 H -3.7239 -2.0304 2.9096 H 1 UNL111111111 0.1285 83 H -2.6108 -2.0295 1.5311 H 1 UNL111111111 0.1314 84 H -2.3453 0.0645 2.9142 H 1 UNL111111111 0.1269 85 H -4.0537 0.4482 2.6916 H 1 UNL111111111 0.1445 86 H -3.2595 4.4079 -1.6670 H 1 UNL111111111 0.1727 87 H -0.2597 5.0901 -2.1120 H 1 UNL111111111 0.1538 88 H -1.0109 3.5471 -2.5236 H 1 UNL111111111 0.1783 89 H -1.5012 5.0165 -3.3697 H 1 UNL111111111 0.1496 90 H -1.5925 6.9307 -0.9465 H 1 UNL111111111 0.1220 91 H -2.9672 6.8324 -2.1168 H 1 UNL111111111 0.1368 92 H -3.1471 6.3777 0.6653 H 1 UNL111111111 0.3367 @BOND 1 1 2 1 2 1 47 1 3 1 48 1 4 1 49 1 5 2 3 1 6 3 4 ar 7 4 5 ar 8 4 50 1 9 5 51 1 10 6 5 ar 11 6 52 1 12 7 6 ar 13 7 53 1 14 8 3 ar 15 8 7 ar 16 9 8 1 17 9 54 1 18 9 55 1 19 10 9 1 20 10 2 2 21 11 10 1 22 12 11 2 23 13 11 am 24 13 56 1 25 14 13 1 26 14 57 1 27 15 14 1 28 15 58 1 29 15 59 1 30 15 60 1 31 16 17 2 32 16 14 1 33 18 16 am 34 18 61 1 35 19 22 1 36 19 18 1 37 19 62 1 38 20 21 2 39 20 19 1 40 22 23 1 41 22 63 1 42 22 64 1 43 23 25 ar 44 24 23 ar 45 24 26 ar 46 24 65 1 47 25 27 ar 48 25 28 ar 49 26 27 ar 50 26 66 1 51 27 29 ar 52 28 30 ar 53 28 67 1 54 29 31 ar 55 29 68 1 56 30 31 ar 57 30 69 1 58 31 70 1 59 32 20 am 60 32 71 1 61 33 32 1 62 33 72 1 63 34 35 1 64 34 33 1 65 34 73 1 66 34 74 1 67 35 40 1 68 35 75 1 69 36 35 1 70 36 37 1 71 36 76 1 72 36 77 1 73 37 38 1 74 37 78 1 75 37 79 1 76 38 39 1 77 38 80 1 78 38 81 1 79 39 82 1 80 39 83 1 81 40 39 1 82 40 84 1 83 40 85 1 84 41 42 2 85 41 33 1 86 43 44 1 87 43 41 1 88 43 45 1 89 43 86 1 90 44 87 1 91 44 88 1 92 44 89 1 93 45 46 1 94 45 90 1 95 45 91 1 96 46 92 1