@MOLECULE n-(dimethylsulfamoyl)phenylalanyl-n-{3-hydroxy-6-methyl-1-[(2-methylbutyl)amino]-1-oxo-4-heptanyl}-n~6~-(methylcarbamothioyl)lysinamide 104 104 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.4888 -0.8832 -0.7820 N.am 1 UNL1111111111 -0.5876 2 C -7.9209 -0.5563 -0.7425 C.3 1 UNL1111111111 -0.0891 3 C -8.2584 0.5758 -1.7397 C.3 1 UNL1111111111 -0.1117 4 C -9.6830 1.0781 -1.4362 C.3 1 UNL1111111111 -0.2631 5 C -8.1515 0.0734 -3.1824 C.3 1 UNL1111111111 -0.4517 6 C -9.9872 2.3946 -2.1495 C.3 1 UNL1111111111 -0.4341 7 N -1.7010 -1.9084 1.5899 N.am 1 UNL1111111111 -0.5941 8 C -2.5045 -3.0684 1.1829 C.3 1 UNL1111111111 0.0622 9 C -2.2247 -4.2539 2.1274 C.3 1 UNL1111111111 -0.3147 10 C -0.8459 -4.8831 1.8575 C.3 1 UNL1111111111 -0.0628 11 C -0.3168 -5.5544 3.1299 C.3 1 UNL1111111111 -0.4533 12 C -0.9355 -5.9072 0.7197 C.3 1 UNL1111111111 -0.4591 13 C -4.0072 -2.6758 1.2752 C.3 1 UNL1111111111 0.1520 14 O -4.1803 -2.1866 2.5851 O.3 1 UNL1111111111 -0.5903 15 C -4.3703 -1.5870 0.2452 C.3 1 UNL1111111111 -0.4318 16 C -5.8368 -1.2468 0.3686 C.2 1 UNL1111111111 0.5937 17 O -6.4304 -1.2835 1.4363 O.2 1 UNL1111111111 -0.5772 18 N 1.5450 -0.4220 1.0487 N.am 1 UNL1111111111 -0.6034 19 C 0.1316 -0.2649 1.3864 C.3 1 UNL1111111111 0.0155 20 C -0.6405 -1.4854 0.8350 C.2 1 UNL1111111111 0.5192 21 O -0.3351 -2.0410 -0.2016 O.2 1 UNL1111111111 -0.5529 22 C -0.5558 0.9845 0.8144 C.3 1 UNL1111111111 -0.2926 23 C 0.0765 2.2773 1.3395 C.3 1 UNL1111111111 -0.2408 24 C -0.3029 3.4441 0.4197 C.3 1 UNL1111111111 -0.3040 25 C 0.3774 4.7295 0.9105 C.3 1 UNL1111111111 -0.0530 26 N 0.0039 5.8435 0.0175 N.am 1 UNL1111111111 -0.5528 27 C 0.4155 7.1256 0.2702 C.2 1 UNL1111111111 0.4849 28 S 1.2766 7.5522 1.6666 S.2 1 UNL1111111111 -0.5553 29 N 0.0706 8.0357 -0.6966 N.am 1 UNL1111111111 -0.5340 30 C 0.3560 9.4635 -0.5293 C.3 1 UNL1111111111 -0.2112 31 N 3.5803 -1.0928 -1.5945 N.3 1 UNL1111111111 -0.9052 32 C 3.6004 -0.3963 -0.3198 C.3 1 UNL1111111111 0.0458 33 C 2.1347 0.0766 -0.1078 C.2 1 UNL1111111111 0.5708 34 O 1.6085 0.8699 -0.8498 O.2 1 UNL1111111111 -0.5183 35 C 4.4748 0.8780 -0.3106 C.3 1 UNL1111111111 -0.3223 36 C 5.9134 0.5245 -0.1004 C.ar 1 UNL1111111111 0.0138 37 C 6.7775 0.4011 -1.1890 C.ar 1 UNL1111111111 -0.1617 38 C 6.3907 0.3060 1.1944 C.ar 1 UNL1111111111 -0.1705 39 C 8.1126 0.0590 -0.9833 C.ar 1 UNL1111111111 -0.1341 40 C 7.7258 -0.0344 1.3963 C.ar 1 UNL1111111111 -0.1371 41 C 8.5888 -0.1581 0.3082 C.ar 1 UNL1111111111 -0.1587 42 S 4.0555 -2.7584 -1.7452 S.O2 1 UNL1111111111 2.4571 43 O 4.6949 -2.8281 -3.0331 O.2 1 UNL1111111111 -0.8752 44 O 4.7043 -3.1314 -0.5109 O.2 1 UNL1111111111 -0.9125 45 N 2.5647 -3.6536 -1.8195 N.3 1 UNL1111111111 -0.6478 46 C 1.5009 -3.0677 -2.6515 C.3 1 UNL1111111111 -0.2557 47 C 2.0494 -4.1139 -0.5206 C.3 1 UNL1111111111 -0.2578 48 H -6.0316 -0.8385 -1.6750 H 1 UNL1111111111 0.3121 49 H -8.5135 -1.4702 -0.9727 H 1 UNL1111111111 0.1412 50 H -8.1987 -0.2551 0.2983 H 1 UNL1111111111 0.1716 51 H -7.5409 1.4179 -1.5888 H 1 UNL1111111111 0.1450 52 H -10.4252 0.3103 -1.7261 H 1 UNL1111111111 0.1404 53 H -9.8070 1.2200 -0.3437 H 1 UNL1111111111 0.1412 54 H -7.1328 -0.2298 -3.4400 H 1 UNL1111111111 0.1333 55 H -8.8104 -0.7842 -3.3613 H 1 UNL1111111111 0.1493 56 H -8.4409 0.8559 -3.8952 H 1 UNL1111111111 0.1525 57 H -9.9487 2.2855 -3.2389 H 1 UNL1111111111 0.1425 58 H -10.9899 2.7575 -1.8940 H 1 UNL1111111111 0.1445 59 H -9.2743 3.1792 -1.8708 H 1 UNL1111111111 0.1441 60 H -1.9889 -1.4689 2.4546 H 1 UNL1111111111 0.3336 61 H -2.2531 -3.3507 0.1255 H 1 UNL1111111111 0.1668 62 H -2.2987 -3.9096 3.1788 H 1 UNL1111111111 0.1624 63 H -3.0169 -5.0175 2.0244 H 1 UNL1111111111 0.1504 64 H -0.1289 -4.0795 1.5571 H 1 UNL1111111111 0.1347 65 H -0.9854 -6.3524 3.4698 H 1 UNL1111111111 0.1461 66 H 0.6689 -6.0020 2.9620 H 1 UNL1111111111 0.1453 67 H -0.2161 -4.8355 3.9499 H 1 UNL1111111111 0.1419 68 H -1.6091 -6.7332 0.9727 H 1 UNL1111111111 0.1482 69 H -1.3021 -5.4466 -0.2040 H 1 UNL1111111111 0.1427 70 H 0.0457 -6.3435 0.5010 H 1 UNL1111111111 0.1442 71 H -4.6583 -3.5697 1.1488 H 1 UNL1111111111 0.1293 72 H -5.0923 -1.7959 2.6634 H 1 UNL1111111111 0.3672 73 H -3.7716 -0.6712 0.4479 H 1 UNL1111111111 0.1921 74 H -4.0866 -1.9134 -0.7716 H 1 UNL1111111111 0.1725 75 H 1.9931 -1.2055 1.5131 H 1 UNL1111111111 0.3092 76 H 0.0698 -0.2371 2.5107 H 1 UNL1111111111 0.1542 77 H -0.5031 0.9586 -0.2985 H 1 UNL1111111111 0.1868 78 H -0.2459 2.4750 2.3780 H 1 UNL1111111111 0.1373 79 H 1.1808 2.1745 1.3713 H 1 UNL1111111111 0.1575 80 H 0.0172 3.2088 -0.6172 H 1 UNL1111111111 0.1586 81 H 0.0608 4.9664 1.9549 H 1 UNL1111111111 0.1664 82 H 1.4870 4.6075 0.9268 H 1 UNL1111111111 0.1590 83 H -0.4166 5.5847 -0.8624 H 1 UNL1111111111 0.3011 84 H -0.5102 7.7868 -1.4802 H 1 UNL1111111111 0.2992 85 H 0.0245 10.0167 -1.4225 H 1 UNL1111111111 0.1400 86 H -0.1570 9.8819 0.3585 H 1 UNL1111111111 0.1624 87 H 1.4436 9.6366 -0.3973 H 1 UNL1111111111 0.1728 88 H 3.6911 -0.4875 -2.4023 H 1 UNL1111111111 0.3235 89 H 3.9431 -1.0777 0.5070 H 1 UNL1111111111 0.1738 90 H 4.3239 1.4531 -1.2484 H 1 UNL1111111111 0.1704 91 H 4.1241 1.5665 0.4884 H 1 UNL1111111111 0.1641 92 H 6.4108 0.5615 -2.2007 H 1 UNL1111111111 0.1532 93 H 5.7212 0.3958 2.0461 H 1 UNL1111111111 0.1467 94 H 8.7824 -0.0456 -1.8347 H 1 UNL1111111111 0.1495 95 H 8.0952 -0.2099 2.4042 H 1 UNL1111111111 0.1457 96 H 9.6299 -0.4292 0.4673 H 1 UNL1111111111 0.1499 97 H 0.7272 -3.8356 -2.8326 H 1 UNL1111111111 0.1473 98 H 0.9960 -2.1978 -2.1879 H 1 UNL1111111111 0.1565 99 H 1.8977 -2.7703 -3.6372 H 1 UNL1111111111 0.1503 100 H 2.8561 -4.5766 0.0789 H 1 UNL1111111111 0.1655 101 H 1.5640 -3.3240 0.0770 H 1 UNL1111111111 0.1332 102 H 1.2901 -4.8977 -0.7011 H 1 UNL1111111111 0.1485 103 H -1.6340 0.9614 1.0635 H 1 UNL1111111111 0.1412 104 H -1.4010 3.5699 0.3928 H 1 UNL1111111111 0.1432 @BOND 1 1 2 1 2 1 48 1 3 1 16 am 4 2 3 1 5 2 49 1 6 2 50 1 7 3 4 1 8 3 5 1 9 3 51 1 10 4 6 1 11 4 52 1 12 4 53 1 13 5 54 1 14 5 55 1 15 5 56 1 16 6 57 1 17 6 58 1 18 6 59 1 19 7 8 1 20 7 60 1 21 7 20 am 22 8 9 1 23 8 13 1 24 8 61 1 25 9 10 1 26 9 62 1 27 9 63 1 28 10 11 1 29 10 12 1 30 10 64 1 31 11 65 1 32 11 66 1 33 11 67 1 34 12 68 1 35 12 69 1 36 12 70 1 37 13 14 1 38 13 15 1 39 13 71 1 40 14 72 1 41 15 16 1 42 15 73 1 43 15 74 1 44 16 17 2 45 18 19 1 46 18 75 1 47 18 33 am 48 19 20 1 49 19 22 1 50 19 76 1 51 20 21 2 52 22 23 1 53 22 77 1 54 22 103 1 55 23 24 1 56 23 78 1 57 23 79 1 58 24 25 1 59 24 80 1 60 24 104 1 61 25 26 1 62 25 81 1 63 25 82 1 64 26 83 1 65 26 27 1 66 27 28 2 67 27 29 1 68 29 30 1 69 29 84 1 70 30 85 1 71 30 86 1 72 30 87 1 73 31 32 1 74 31 88 1 75 31 42 1 76 32 33 1 77 32 35 1 78 32 89 1 79 33 34 2 80 35 36 1 81 35 90 1 82 35 91 1 83 36 37 ar 84 36 38 ar 85 37 39 ar 86 37 92 1 87 38 40 ar 88 38 93 1 89 39 41 ar 90 39 94 1 91 40 41 ar 92 40 95 1 93 41 96 1 94 42 43 2 95 42 44 2 96 42 45 1 97 45 46 1 98 45 47 1 99 46 97 1 100 46 98 1 101 46 99 1 102 47 100 1 103 47 101 1 104 47 102 1