@MOLECULE (5s)-3-(4-acetylphenyl)-n-[(2s,3r)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-2-oxo-1,3-oxazolidine-5-carboxamide 84 87 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0236 -1.5829 3.0749 O.2 1 UNL1111111111 -0.4599 2 C -3.9984 -1.4246 1.8762 C.2 1 UNL1111111111 0.4998 3 C -5.0364 -0.5753 1.2004 C.3 1 UNL1111111111 -0.5543 4 C -2.9358 -2.0435 1.0506 C.ar 1 UNL1111111111 -0.1965 5 C -2.8645 -1.8516 -0.3300 C.ar 1 UNL1111111111 -0.0715 6 C -1.7893 -2.3476 -1.0541 C.ar 1 UNL1111111111 -0.2410 7 C -1.9628 -2.8159 1.6933 C.ar 1 UNL1111111111 -0.0302 8 C -0.8862 -3.3318 0.9817 C.ar 1 UNL1111111111 -0.2542 9 C -0.7752 -3.0560 -0.3879 C.ar 1 UNL1111111111 0.2496 10 N 0.3472 -3.4644 -1.1514 N.am 1 UNL1111111111 -0.5041 11 C 1.2834 -4.4149 -0.6523 C.2 1 UNL1111111111 0.6773 12 O 1.0541 -5.4645 -0.1321 O.2 1 UNL1111111111 -0.4003 13 O 2.5642 -3.9949 -0.9607 O.3 1 UNL1111111111 -0.3217 14 C 1.0973 -2.3971 -1.8589 C.3 1 UNL1111111111 -0.1425 15 C 2.5362 -2.6144 -1.3383 C.3 1 UNL1111111111 -0.0089 16 C 2.8253 -1.8081 -0.0670 C.2 1 UNL1111111111 0.5300 17 O 3.1238 -2.3681 0.9751 O.2 1 UNL1111111111 -0.5418 18 N 2.7503 -0.4453 -0.1544 N.am 1 UNL1111111111 -0.5773 19 C 2.9790 0.3479 1.0623 C.3 1 UNL1111111111 0.0393 20 C 3.2397 1.8245 0.7081 C.3 1 UNL1111111111 -0.3344 21 C 4.2606 1.9368 -0.3832 C.ar 1 UNL1111111111 0.0257 22 C 5.5994 1.6328 -0.1278 C.ar 1 UNL1111111111 -0.1737 23 C 6.5376 1.7091 -1.1540 C.ar 1 UNL1111111111 -0.1378 24 C 6.1449 2.0937 -2.4352 C.ar 1 UNL1111111111 -0.1646 25 C 4.8104 2.4053 -2.6882 C.ar 1 UNL1111111111 -0.1495 26 C 3.8680 2.3272 -1.6653 C.ar 1 UNL1111111111 -0.1723 27 C 1.8140 0.1985 2.0908 C.3 1 UNL1111111111 0.0806 28 O 2.1644 -0.8396 2.9765 O.3 1 UNL1111111111 -0.5821 29 C 0.4116 -0.1648 1.5311 C.3 1 UNL1111111111 -0.1081 30 N -0.4707 0.9420 1.1630 N.3 1 UNL1111111111 -0.7811 31 C -0.9774 1.7380 2.2898 C.3 1 UNL1111111111 -0.0769 32 C -0.1031 2.9467 2.7205 C.3 1 UNL1111111111 -0.0890 33 C -0.8149 4.2684 2.4148 C.3 1 UNL1111111111 -0.4599 34 C 0.2120 2.8588 4.2177 C.3 1 UNL1111111111 -0.4649 35 S -0.3423 1.6477 -0.4132 S.O2 1 UNL1111111111 2.4067 36 O 0.4213 0.6972 -1.2245 O.2 1 UNL1111111111 -0.9965 37 O 0.1486 2.9999 -0.2977 O.2 1 UNL1111111111 -0.9126 38 C -1.9830 1.6651 -1.0075 C.ar 1 UNL1111111111 -0.4601 39 C -2.3360 0.8161 -2.0549 C.ar 1 UNL1111111111 0.0179 40 C -3.6445 0.7819 -2.5313 C.ar 1 UNL1111111111 -0.3442 41 C -4.5933 1.6186 -1.9402 C.ar 1 UNL1111111111 0.3000 42 O -5.9024 1.6812 -2.2684 O.3 1 UNL1111111111 -0.3143 43 C -6.3610 0.8492 -3.3275 C.3 1 UNL1111111111 -0.2051 44 C -4.2471 2.5013 -0.8993 C.ar 1 UNL1111111111 -0.2873 45 C -2.9371 2.5251 -0.4519 C.ar 1 UNL1111111111 -0.0041 46 H -5.6468 -1.1640 0.5050 H 1 UNL1111111111 0.1694 47 H -4.5837 0.2540 0.6400 H 1 UNL1111111111 0.1744 48 H -5.7239 -0.1330 1.9378 H 1 UNL1111111111 0.1808 49 H -3.6458 -1.2975 -0.8505 H 1 UNL1111111111 0.1487 50 H -1.7287 -2.1985 -2.1290 H 1 UNL1111111111 0.1636 51 H -2.0466 -2.9981 2.7715 H 1 UNL1111111111 0.1815 52 H -0.1327 -3.9353 1.4930 H 1 UNL1111111111 0.1910 53 H 0.6924 -1.3777 -1.6694 H 1 UNL1111111111 0.2049 54 H 1.0288 -2.5766 -2.9532 H 1 UNL1111111111 0.1651 55 H 3.3340 -2.4989 -2.0974 H 1 UNL1111111111 0.1822 56 H 2.3113 0.0390 -0.9385 H 1 UNL1111111111 0.3554 57 H 3.9086 -0.0614 1.5646 H 1 UNL1111111111 0.1763 58 H 2.3043 2.3496 0.4210 H 1 UNL1111111111 0.1813 59 H 3.5888 2.3592 1.6172 H 1 UNL1111111111 0.1627 60 H 5.9091 1.3288 0.8701 H 1 UNL1111111111 0.1555 61 H 7.5799 1.4666 -0.9554 H 1 UNL1111111111 0.1492 62 H 6.8788 2.1508 -3.2356 H 1 UNL1111111111 0.1484 63 H 4.5022 2.7088 -3.6861 H 1 UNL1111111111 0.1444 64 H 2.8247 2.5728 -1.8667 H 1 UNL1111111111 0.1670 65 H 1.7619 1.0906 2.7522 H 1 UNL1111111111 0.1499 66 H 2.5065 -1.6157 2.4623 H 1 UNL1111111111 0.3600 67 H -0.1068 -0.7614 2.3316 H 1 UNL1111111111 0.1713 68 H 0.4926 -0.8705 0.6743 H 1 UNL1111111111 0.1547 69 H -1.1177 1.0475 3.1582 H 1 UNL1111111111 0.1591 70 H -2.0089 2.0756 2.0404 H 1 UNL1111111111 0.1299 71 H 0.8591 2.9354 2.1506 H 1 UNL1111111111 0.1524 72 H -1.8207 4.3067 2.8396 H 1 UNL1111111111 0.1330 73 H -0.2566 5.1182 2.8242 H 1 UNL1111111111 0.1444 74 H -0.8799 4.4404 1.3309 H 1 UNL1111111111 0.1646 75 H -0.6937 2.9398 4.8275 H 1 UNL1111111111 0.1441 76 H 0.8837 3.6669 4.5273 H 1 UNL1111111111 0.1448 77 H 0.7020 1.9125 4.4794 H 1 UNL1111111111 0.1534 78 H -1.5875 0.1591 -2.5203 H 1 UNL1111111111 0.1749 79 H -3.9058 0.1207 -3.3499 H 1 UNL1111111111 0.1679 80 H -5.8723 1.1136 -4.2706 H 1 UNL1111111111 0.1392 81 H -7.4316 1.0996 -3.3672 H 1 UNL1111111111 0.1644 82 H -6.2241 -0.2091 -3.0837 H 1 UNL1111111111 0.1400 83 H -5.0059 3.1549 -0.4752 H 1 UNL1111111111 0.1789 84 H -2.6630 3.2353 0.3387 H 1 UNL1111111111 0.1670 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 46 1 5 3 47 1 6 3 48 1 7 4 5 ar 8 4 7 ar 9 5 6 ar 10 5 49 1 11 6 9 ar 12 6 50 1 13 7 8 ar 14 7 51 1 15 8 9 ar 16 8 52 1 17 9 10 1 18 10 14 1 19 10 11 am 20 11 12 2 21 11 13 1 22 13 15 1 23 14 15 1 24 14 53 1 25 14 54 1 26 15 16 1 27 15 55 1 28 16 17 2 29 16 18 am 30 18 19 1 31 18 56 1 32 19 20 1 33 19 27 1 34 19 57 1 35 20 21 1 36 20 58 1 37 20 59 1 38 21 22 ar 39 21 26 ar 40 22 23 ar 41 22 60 1 42 23 24 ar 43 23 61 1 44 24 25 ar 45 24 62 1 46 25 26 ar 47 25 63 1 48 26 64 1 49 27 29 1 50 27 28 1 51 27 65 1 52 28 66 1 53 29 30 1 54 29 67 1 55 29 68 1 56 30 35 1 57 30 31 1 58 31 32 1 59 31 69 1 60 31 70 1 61 32 34 1 62 32 33 1 63 32 71 1 64 33 72 1 65 33 73 1 66 33 74 1 67 34 75 1 68 34 76 1 69 34 77 1 70 35 37 2 71 35 36 2 72 35 38 1 73 38 45 ar 74 38 39 ar 75 39 40 ar 76 39 78 1 77 40 41 ar 78 40 79 1 79 41 44 ar 80 41 42 1 81 42 43 1 82 43 80 1 83 43 81 1 84 43 82 1 85 44 45 ar 86 44 83 1 87 45 84 1