@MOLECULE n-[(2s)-1-oxo-1-{[(3s)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]amino}-4-(phenylsulfonyl)-2-butanyl]-4-morpholinecarboxamide 83 86 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.5642 -1.9723 -1.4453 N.am 1 UNL111111 -0.4983 2 O -7.2102 -2.3986 -2.2825 O.3 1 UNL111111 -0.3746 3 C -5.3900 -0.8386 -1.9050 C.3 1 UNL111111 -0.1242 4 C -6.4362 -1.3885 -2.8971 C.3 1 UNL111111 -0.0478 5 C -5.3812 -3.0405 -0.8272 C.3 1 UNL111111 -0.1225 6 C -6.4213 -3.4976 -1.8645 C.3 1 UNL111111 -0.0512 7 C -3.3445 -1.7256 -0.7825 C.2 1 UNL111111 0.7178 8 O -2.9508 -2.4561 0.1193 O.2 1 UNL111111 -0.6220 9 N -2.5685 -0.6856 -1.2537 N.am 1 UNL111111 -0.6077 10 C -1.2275 -0.5137 -0.6967 C.3 1 UNL111111 0.0151 11 C -0.1902 -1.4367 -1.3841 C.3 1 UNL111111 -0.2637 12 C 0.1116 -2.6808 -0.5551 C.3 1 UNL111111 -0.5974 13 S 1.1010 -2.3204 0.8955 S.O2 1 UNL111111 2.2547 14 C 0.5888 -3.4682 2.1175 C.ar 1 UNL111111 -0.4079 15 C -0.8089 0.9492 -0.9468 C.2 1 UNL111111 0.5449 16 O -1.2786 1.5947 -1.8690 O.2 1 UNL111111 -0.5882 17 O 2.4848 -2.6066 0.5600 O.2 1 UNL111111 -0.9391 18 O 0.7536 -0.9769 1.3446 O.2 1 UNL111111 -0.9656 19 C -0.7221 -3.4560 2.5907 C.ar 1 UNL111111 -0.0625 20 C 1.5121 -4.3798 2.6270 C.ar 1 UNL111111 -0.0660 21 C -1.1089 -4.3618 3.5775 C.ar 1 UNL111111 -0.1765 22 C 1.1227 -5.2863 3.6108 C.ar 1 UNL111111 -0.1873 23 C -0.1876 -5.2755 4.0872 C.ar 1 UNL111111 -0.0956 24 C 2.9589 1.9979 -0.9522 C.3 1 UNL111111 -0.5827 25 N 0.1390 1.4260 -0.0938 N.am 1 UNL111111 -0.5820 26 C 0.6685 2.7895 -0.2317 C.3 1 UNL111111 0.0927 27 C -0.0672 3.7562 0.7208 C.3 1 UNL111111 -0.3089 28 C -2.1317 5.1108 0.9622 C.ar 1 UNL111111 0.0256 29 C -2.2520 6.2671 0.1884 C.ar 1 UNL111111 -0.1803 30 C -2.5329 5.1281 2.3004 C.ar 1 UNL111111 -0.1811 31 C -2.7646 7.4335 0.7510 C.ar 1 UNL111111 -0.1345 32 C -3.0438 6.2968 2.8600 C.ar 1 UNL111111 -0.1357 33 C -3.1595 7.4514 2.0875 C.ar 1 UNL111111 -0.1697 34 C -1.5566 3.8665 0.3623 C.3 1 UNL111111 -0.2982 35 C 2.1783 2.7691 0.1081 C.3 1 UNL111111 -0.2785 36 C 5.6407 -2.3380 -2.2361 C.ar 1 UNL111111 -0.1271 37 C 4.9317 -2.2440 -1.0420 C.ar 1 UNL111111 -0.1569 38 C 4.6537 -0.9918 -0.4912 C.ar 1 UNL111111 -0.0526 39 C 5.0658 0.1620 -1.1514 C.ar 1 UNL111111 -0.4183 40 C 5.7905 0.0694 -2.3388 C.ar 1 UNL111111 -0.0793 41 C 6.0778 -1.1806 -2.8818 C.ar 1 UNL111111 -0.1891 42 S 4.6826 1.7450 -0.4808 S.O2 1 UNL111111 2.1995 43 O 5.4677 2.7289 -1.2013 O.2 1 UNL111111 -0.9156 44 O 4.7470 1.6692 0.9641 O.2 1 UNL111111 -0.9032 45 H -5.9012 -0.3386 -1.0511 H 1 UNL111111 0.1470 46 H -4.7651 -0.0729 -2.4111 H 1 UNL111111 0.1476 47 H -7.1889 -0.6249 -3.1641 H 1 UNL111111 0.1471 48 H -5.9599 -1.7836 -3.8117 H 1 UNL111111 0.1323 49 H -4.7194 -3.8880 -0.5350 H 1 UNL111111 0.1664 50 H -5.8811 -2.6857 0.1004 H 1 UNL111111 0.1439 51 H -7.1668 -4.1839 -1.4245 H 1 UNL111111 0.1442 52 H -5.9450 -3.9706 -2.7410 H 1 UNL111111 0.1318 53 H -2.8074 -0.1160 -2.0548 H 1 UNL111111 0.3374 54 H -1.2818 -0.7089 0.4147 H 1 UNL111111 0.2032 55 H -0.5806 -1.7427 -2.3794 H 1 UNL111111 0.1607 56 H 0.7377 -0.8750 -1.6180 H 1 UNL111111 0.1555 57 H -0.8507 -3.1707 -0.2725 H 1 UNL111111 0.2102 58 H 0.6357 -3.4303 -1.1823 H 1 UNL111111 0.1825 59 H -1.4676 -2.7494 2.2009 H 1 UNL111111 0.1806 60 H 2.5481 -4.3939 2.2655 H 1 UNL111111 0.1762 61 H -2.1325 -4.3529 3.9483 H 1 UNL111111 0.1576 62 H 1.8418 -5.9990 4.0095 H 1 UNL111111 0.1541 63 H -0.4910 -5.9820 4.8589 H 1 UNL111111 0.1479 64 H 2.4745 1.0201 -1.1386 H 1 UNL111111 0.1721 65 H 2.9186 2.5361 -1.9199 H 1 UNL111111 0.1787 66 H 0.4973 0.8480 0.6757 H 1 UNL111111 0.3663 67 H 0.5176 3.1317 -1.2919 H 1 UNL111111 0.1589 68 H 0.0439 3.4262 1.7703 H 1 UNL111111 0.1508 69 H 0.4067 4.7560 0.6645 H 1 UNL111111 0.1552 70 H -1.9447 6.2561 -0.8552 H 1 UNL111111 0.1534 71 H -2.4441 4.2290 2.9055 H 1 UNL111111 0.1523 72 H -2.8561 8.3328 0.1456 H 1 UNL111111 0.1460 73 H -3.3526 6.3087 3.9032 H 1 UNL111111 0.1462 74 H -3.5569 8.3631 2.5261 H 1 UNL111111 0.1478 75 H -1.6889 3.8530 -0.7420 H 1 UNL111111 0.1704 76 H -2.1019 2.9665 0.7111 H 1 UNL111111 0.1553 77 H 2.5461 3.8124 0.1886 H 1 UNL111111 0.1572 78 H 2.3304 2.3282 1.1203 H 1 UNL111111 0.1770 79 H 5.8584 -3.3136 -2.6649 H 1 UNL111111 0.1393 80 H 4.5780 -3.1401 -0.5288 H 1 UNL111111 0.1729 81 H 4.1128 -0.9488 0.4648 H 1 UNL111111 0.1917 82 H 6.1482 0.9713 -2.8494 H 1 UNL111111 0.1742 83 H 6.6442 -1.2552 -3.8068 H 1 UNL111111 0.1503 @BOND 1 1 3 1 2 1 5 1 3 1 7 am 4 2 4 1 5 2 6 1 6 3 4 1 7 3 45 1 8 3 46 1 9 4 47 1 10 4 48 1 11 5 6 1 12 5 49 1 13 5 50 1 14 6 51 1 15 6 52 1 16 7 8 2 17 7 9 am 18 9 10 1 19 9 53 1 20 10 11 1 21 10 15 1 22 10 54 1 23 11 12 1 24 11 55 1 25 11 56 1 26 12 13 1 27 12 57 1 28 12 58 1 29 13 14 1 30 13 17 2 31 13 18 2 32 14 19 ar 33 14 20 ar 34 15 16 2 35 15 25 am 36 19 21 ar 37 19 59 1 38 20 22 ar 39 20 60 1 40 21 23 ar 41 21 61 1 42 22 23 ar 43 22 62 1 44 23 63 1 45 24 35 1 46 24 42 1 47 24 64 1 48 24 65 1 49 25 26 1 50 25 66 1 51 26 27 1 52 26 35 1 53 26 67 1 54 27 34 1 55 27 68 1 56 27 69 1 57 28 29 ar 58 28 30 ar 59 28 34 1 60 29 31 ar 61 29 70 1 62 30 32 ar 63 30 71 1 64 31 33 ar 65 31 72 1 66 32 33 ar 67 32 73 1 68 33 74 1 69 34 75 1 70 34 76 1 71 35 77 1 72 35 78 1 73 36 37 ar 74 36 41 ar 75 36 79 1 76 37 38 ar 77 37 80 1 78 38 39 ar 79 38 81 1 80 39 40 ar 81 39 42 1 82 40 41 ar 83 40 82 1 84 41 83 1 85 42 43 2 86 42 44 2