@MOLECULE 2-methyl-2-propanyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenyl-2-butanyl}carbamate 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.3857 3.4364 0.1992 C.ar 1 UNL1111111111 -0.2721 2 C -0.2357 3.0883 -1.0027 C.ar 1 UNL1111111111 0.2638 3 C 0.1585 2.0003 -1.7661 C.ar 1 UNL1111111111 -0.2648 4 C 1.4143 2.6191 0.6441 C.ar 1 UNL1111111111 -0.0211 5 F -1.2414 3.8357 -1.4305 F 1 UNL1111111111 -0.1819 6 C 1.2154 1.1906 -1.3134 C.ar 1 UNL1111111111 0.1868 7 C 1.8234 1.4988 -0.0923 C.ar 1 UNL1111111111 -0.4539 8 S 3.0758 0.5342 0.6669 S.O2 1 UNL1111111111 2.3714 9 C 1.5447 0.0186 -2.1900 C.3 1 UNL1111111111 -0.3150 10 N 2.7435 -1.0743 0.0952 N.3 1 UNL1111111111 -0.7858 11 C 3.0232 -0.3911 -2.2647 C.3 1 UNL1111111111 -0.1016 12 C 3.3605 -1.4530 -1.1828 C.3 1 UNL1111111111 -0.0728 13 C 3.3394 -0.9944 -3.6383 C.3 1 UNL1111111111 -0.4568 14 C 2.5232 -2.1642 1.0414 C.3 1 UNL1111111111 -0.1149 15 O 2.8098 0.5108 2.0948 O.2 1 UNL1111111111 -0.9342 16 O 4.3741 0.9280 0.1738 O.2 1 UNL1111111111 -0.9096 17 C 1.1189 -2.7806 0.7708 C.3 1 UNL1111111111 0.1186 18 C -0.0122 -1.7334 0.9307 C.3 1 UNL1111111111 0.0513 19 N -1.1832 -2.1983 0.1730 N.am 1 UNL1111111111 -0.5964 20 C -0.3781 -1.4890 2.4127 C.3 1 UNL1111111111 -0.3332 21 C -1.2937 -0.3071 2.5090 C.ar 1 UNL1111111111 0.0102 22 C -2.6780 -0.4777 2.4507 C.ar 1 UNL1111111111 -0.1815 23 C -3.5178 0.6337 2.4712 C.ar 1 UNL1111111111 -0.1452 24 C -2.9788 1.9158 2.5570 C.ar 1 UNL1111111111 -0.1632 25 C -1.5975 2.0840 2.6382 C.ar 1 UNL1111111111 -0.1416 26 C -0.7549 0.9762 2.6187 C.ar 1 UNL1111111111 -0.1599 27 C -1.7713 -1.3024 -0.7023 C.2 1 UNL1111111111 0.7470 28 O -1.2047 -0.3506 -1.2010 O.2 1 UNL1111111111 -0.5963 29 O -3.0491 -1.6785 -0.9467 O.3 1 UNL1111111111 -0.4819 30 O 0.9335 -3.8826 1.6230 O.3 1 UNL1111111111 -0.5583 31 C -3.8686 -0.8346 -1.7943 C.3 1 UNL1111111111 0.3880 32 C -3.8990 0.5824 -1.2375 C.3 1 UNL1111111111 -0.5168 33 C -3.3281 -0.9003 -3.2182 C.3 1 UNL1111111111 -0.5043 34 C -5.2269 -1.5306 -1.6577 C.3 1 UNL1111111111 -0.4832 35 H 0.0680 4.3048 0.7687 H 1 UNL1111111111 0.1719 36 H -0.3690 1.7439 -2.6845 H 1 UNL1111111111 0.1806 37 H 1.8951 2.8654 1.6005 H 1 UNL1111111111 0.1706 38 H 0.9283 -0.8497 -1.8373 H 1 UNL1111111111 0.2009 39 H 1.1669 0.2038 -3.2188 H 1 UNL1111111111 0.1574 40 H 3.6756 0.5084 -2.1286 H 1 UNL1111111111 0.1630 41 H 4.4654 -1.5638 -1.0983 H 1 UNL1111111111 0.1301 42 H 2.9599 -2.4441 -1.4948 H 1 UNL1111111111 0.1387 43 H 3.2024 -0.2557 -4.4367 H 1 UNL1111111111 0.1470 44 H 4.3801 -1.3339 -3.6945 H 1 UNL1111111111 0.1449 45 H 2.6956 -1.8504 -3.8682 H 1 UNL1111111111 0.1460 46 H 3.2895 -2.9658 0.9520 H 1 UNL1111111111 0.1380 47 H 2.5799 -1.8074 2.0977 H 1 UNL1111111111 0.1665 48 H 1.0721 -3.2496 -0.2397 H 1 UNL1111111111 0.1581 49 H 0.3366 -0.7575 0.4780 H 1 UNL1111111111 0.1931 50 H -1.7328 -2.9419 0.5800 H 1 UNL1111111111 0.3212 51 H -0.8418 -2.3911 2.8563 H 1 UNL1111111111 0.1527 52 H 0.5507 -1.3011 2.9956 H 1 UNL1111111111 0.1731 53 H -3.1044 -1.4753 2.3792 H 1 UNL1111111111 0.1505 54 H -4.5962 0.4987 2.4203 H 1 UNL1111111111 0.1486 55 H -3.6344 2.7835 2.5624 H 1 UNL1111111111 0.1509 56 H -1.1755 3.0838 2.7130 H 1 UNL1111111111 0.1461 57 H 0.3286 1.1074 2.6842 H 1 UNL1111111111 0.1767 58 H 1.0092 -3.6331 2.5646 H 1 UNL1111111111 0.3150 59 H -2.9524 1.1138 -1.4206 H 1 UNL1111111111 0.1813 60 H -4.6993 1.1758 -1.6895 H 1 UNL1111111111 0.1589 61 H -4.0472 0.5836 -0.1496 H 1 UNL1111111111 0.1649 62 H -3.2165 -1.9374 -3.5540 H 1 UNL1111111111 0.1564 63 H -3.9909 -0.3849 -3.9199 H 1 UNL1111111111 0.1536 64 H -2.3378 -0.4271 -3.2887 H 1 UNL1111111111 0.1758 65 H -5.5865 -1.4978 -0.6219 H 1 UNL1111111111 0.1612 66 H -5.9773 -1.0530 -2.2944 H 1 UNL1111111111 0.1552 67 H -5.1604 -2.5880 -1.9417 H 1 UNL1111111111 0.1600 @BOND 1 1 4 ar 2 1 2 ar 3 1 35 1 4 2 3 ar 5 3 6 ar 6 3 36 1 7 4 7 ar 8 4 37 1 9 5 2 1 10 6 9 1 11 7 6 ar 12 7 8 1 13 8 10 1 14 8 15 2 15 9 11 1 16 9 38 1 17 9 39 1 18 10 12 1 19 11 13 1 20 11 40 1 21 12 11 1 22 12 41 1 23 12 42 1 24 13 43 1 25 13 44 1 26 13 45 1 27 14 10 1 28 14 17 1 29 14 46 1 30 14 47 1 31 16 8 2 32 17 48 1 33 18 17 1 34 18 19 1 35 18 49 1 36 19 27 am 37 19 50 1 38 20 18 1 39 20 51 1 40 20 52 1 41 21 20 1 42 21 22 ar 43 22 53 1 44 23 22 ar 45 23 54 1 46 24 23 ar 47 24 55 1 48 25 24 ar 49 25 26 ar 50 25 56 1 51 26 21 ar 52 26 57 1 53 27 29 1 54 27 28 2 55 29 31 1 56 30 17 1 57 30 58 1 58 31 33 1 59 31 34 1 60 31 32 1 61 32 59 1 62 32 60 1 63 32 61 1 64 33 62 1 65 33 63 1 66 33 64 1 67 34 65 1 68 34 66 1 69 34 67 1