@MOLECULE n-{3-[(5s)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-5-(2-methyl-2-butanyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.5518 1.8649 -0.4859 C.ar 1 UNL1111111111 -0.0698 2 C -3.7465 2.9335 -0.8825 C.ar 1 UNL1111111111 -0.1348 3 C -3.8784 4.1854 -0.2835 C.ar 1 UNL1111111111 -0.0261 4 C -4.8310 4.3110 0.7354 C.ar 1 UNL1111111111 0.1635 5 C -5.6246 3.2527 1.1699 C.ar 1 UNL1111111111 -0.2108 6 C -5.4758 2.0159 0.5462 C.ar 1 UNL1111111111 -0.1402 7 C -1.3665 -1.0753 0.0164 C.2 1 UNL1111111111 -0.4355 8 C -2.2965 -1.7674 0.7280 C.2 1 UNL1111111111 0.3539 9 C -3.7248 -1.3719 0.3466 C.3 1 UNL1111111111 0.0189 10 N -3.4445 -0.3384 -0.6857 N.am 1 UNL1111111111 -0.5316 11 C -2.0784 -0.0836 -0.8223 C.2 1 UNL1111111111 0.6261 12 C 2.9911 -1.1234 -0.1856 C.ar 1 UNL1111111111 -0.4367 13 C 2.1821 0.0159 -0.1462 C.ar 1 UNL1111111111 0.2188 14 C 2.7566 1.2994 -0.2409 C.ar 1 UNL1111111111 -0.2312 15 C 4.1219 1.4347 -0.4124 C.ar 1 UNL1111111111 -0.1301 16 C 4.9312 0.2884 -0.4984 C.ar 1 UNL1111111111 0.1387 17 C 4.3586 -0.9850 -0.3895 C.ar 1 UNL1111111111 -0.0908 18 C 0.0734 -1.2391 0.0009 C.2 1 UNL1111111111 0.3861 19 N 0.7843 -0.0487 0.0011 N.pl3 1 UNL1111111111 -0.4733 20 S 2.3305 -2.7443 0.0653 S.O2 1 UNL1111111111 2.2700 21 C 0.6326 -2.4723 0.0262 C.2 1 UNL1111111111 -0.7416 22 O 2.7481 -3.5768 -1.0494 O.2 1 UNL1111111111 -0.9072 23 O 2.7028 -3.1585 1.4086 O.2 1 UNL1111111111 -0.9270 24 N 6.3361 0.3518 -0.6590 N.pl3 1 UNL1111111111 -0.8877 25 S 7.3230 1.5080 0.1836 S.O2 1 UNL1111111111 2.3923 26 C 7.4114 0.8065 1.8035 C.3 1 UNL1111111111 -0.7451 27 O 8.5998 1.4173 -0.4738 O.2 1 UNL1111111111 -0.8965 28 O 6.6061 2.7567 0.2652 O.2 1 UNL1111111111 -0.9197 29 O -2.1178 -2.6561 1.6911 O.2 1 UNL1111111111 -0.4164 30 O -1.6137 0.8093 -1.4930 O.2 1 UNL1111111111 -0.5377 31 C -4.4417 0.5652 -1.2400 C.3 1 UNL1111111111 -0.0509 32 F -4.9919 5.4931 1.3115 F 1 UNL1111111111 -0.1693 33 C -3.0534 5.3370 -0.7334 C.3 1 UNL1111111111 -0.4376 34 C -4.5667 -2.5860 -0.1851 C.3 1 UNL1111111111 0.1023 35 C -4.5008 -3.7254 0.8612 C.3 1 UNL1111111111 -0.2819 36 C -5.4622 -4.8792 0.5703 C.3 1 UNL1111111111 -0.4313 37 C -6.0256 -2.1387 -0.3437 C.3 1 UNL1111111111 -0.4650 38 C -4.0019 -3.0610 -1.5254 C.3 1 UNL1111111111 -0.4649 39 H -3.0044 2.7851 -1.6742 H 1 UNL1111111111 0.1851 40 H -6.3495 3.3878 1.9710 H 1 UNL1111111111 0.1726 41 H -6.0911 1.1761 0.8629 H 1 UNL1111111111 0.1523 42 H -4.2519 -0.9085 1.2197 H 1 UNL1111111111 0.1733 43 H 2.1280 2.1858 -0.1787 H 1 UNL1111111111 0.1646 44 H 4.5604 2.4382 -0.4842 H 1 UNL1111111111 0.1991 45 H 5.0063 -1.8665 -0.4639 H 1 UNL1111111111 0.1790 46 H 0.2525 0.8029 -0.2066 H 1 UNL1111111111 0.3419 47 H 0.0244 -3.3681 -0.0275 H 1 UNL1111111111 0.1957 48 H 6.7048 -0.0887 -1.4962 H 1 UNL1111111111 0.3314 49 H 7.8849 -0.1856 1.8028 H 1 UNL1111111111 0.1950 50 H 7.9904 1.4399 2.4899 H 1 UNL1111111111 0.1918 51 H 6.4158 0.6815 2.2544 H 1 UNL1111111111 0.1940 52 H -1.1351 -2.8282 1.8666 H 1 UNL1111111111 0.3692 53 H -5.4359 0.0552 -1.2892 H 1 UNL1111111111 0.1548 54 H -4.1502 0.7668 -2.3070 H 1 UNL1111111111 0.1708 55 H -3.6553 6.0522 -1.3156 H 1 UNL1111111111 0.1664 56 H -2.6180 5.8923 0.1130 H 1 UNL1111111111 0.1670 57 H -2.2142 5.0269 -1.3731 H 1 UNL1111111111 0.1625 58 H -3.4738 -4.1417 0.9033 H 1 UNL1111111111 0.1530 59 H -4.7068 -3.3193 1.8701 H 1 UNL1111111111 0.1430 60 H -6.5106 -4.5700 0.6268 H 1 UNL1111111111 0.1421 61 H -5.2934 -5.3064 -0.4247 H 1 UNL1111111111 0.1461 62 H -5.3277 -5.6891 1.2978 H 1 UNL1111111111 0.1452 63 H -6.1308 -1.2649 -0.9996 H 1 UNL1111111111 0.1489 64 H -6.6287 -2.9317 -0.8047 H 1 UNL1111111111 0.1593 65 H -6.4833 -1.8963 0.6207 H 1 UNL1111111111 0.1478 66 H -2.9677 -3.4118 -1.4329 H 1 UNL1111111111 0.1525 67 H -4.5896 -3.8875 -1.9394 H 1 UNL1111111111 0.1537 68 H -4.0045 -2.2577 -2.2737 H 1 UNL1111111111 0.1624 @BOND 1 1 2 ar 2 1 6 ar 3 1 31 1 4 2 3 ar 5 2 39 1 6 3 4 ar 7 3 33 1 8 4 5 ar 9 4 32 1 10 5 6 ar 11 5 40 1 12 6 41 1 13 7 8 2 14 7 11 1 15 7 18 1 16 8 9 1 17 8 29 1 18 9 10 1 19 9 34 1 20 9 42 1 21 10 11 am 22 10 31 1 23 11 30 2 24 12 13 ar 25 12 17 ar 26 12 20 1 27 13 14 ar 28 13 19 1 29 14 15 ar 30 14 43 1 31 15 16 ar 32 15 44 1 33 16 17 ar 34 16 24 1 35 17 45 1 36 18 19 1 37 18 21 2 38 19 46 1 39 20 21 1 40 20 22 2 41 20 23 2 42 21 47 1 43 24 25 1 44 24 48 1 45 25 26 1 46 25 27 2 47 25 28 2 48 26 49 1 49 26 50 1 50 26 51 1 51 29 52 1 52 31 53 1 53 31 54 1 54 33 55 1 55 33 56 1 56 33 57 1 57 34 35 1 58 34 37 1 59 34 38 1 60 35 36 1 61 35 58 1 62 35 59 1 63 36 60 1 64 36 61 1 65 36 62 1 66 37 63 1 67 37 64 1 68 37 65 1 69 38 66 1 70 38 67 1 71 38 68 1