@MOLECULE (5z)-6-[(1s,2r,3r,4r)-3-({[(4-methylphenyl)sulfonyl]amino}methyl)bicyclo[2.2.1]hept-2-yl]-5-hexenoic acid 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0099 -2.6345 -0.2828 S.O2 1 UNL1111111111 2.3425 2 O 0.7093 -2.9446 0.9339 O.2 1 UNL1111111111 -0.9308 3 O -0.2122 -3.6322 -1.3083 O.2 1 UNL1111111111 -0.9004 4 O -3.3833 1.8873 -1.9199 O.3 1 UNL1111111111 -0.5598 5 O -3.7681 2.6473 0.1343 O.2 1 UNL1111111111 -0.5339 6 N 0.8402 -1.3306 -1.0713 N.3 1 UNL1111111111 -0.8553 7 C 3.9106 -0.5565 -0.8458 C.3 1 UNL1111111111 -0.1052 8 C 4.5950 1.2025 0.4243 C.3 1 UNL1111111111 -0.1033 9 C 2.6519 0.3630 -0.8060 C.3 1 UNL1111111111 -0.1396 10 C 3.1450 1.6110 0.0197 C.3 1 UNL1111111111 -0.1446 11 C 5.0570 0.4956 -0.8835 C.3 1 UNL1111111111 -0.3042 12 C 4.1519 -1.1953 0.5440 C.3 1 UNL1111111111 -0.2806 13 C 4.5707 0.0148 1.4213 C.3 1 UNL1111111111 -0.2791 14 C 1.4047 -0.2861 -0.1963 C.3 1 UNL1111111111 -0.0945 15 C 2.2588 1.9943 1.1538 C.2 1 UNL1111111111 -0.1811 16 C 1.1615 2.7509 1.0325 C.2 1 UNL1111111111 -0.1664 17 C 0.6800 3.3464 -0.2506 C.3 1 UNL1111111111 -0.2780 18 C -1.5335 -1.8929 0.1637 C.ar 1 UNL1111111111 -0.4034 19 C -0.8497 3.4562 -0.3135 C.3 1 UNL1111111111 -0.2499 20 C -1.4939 2.0834 -0.5394 C.3 1 UNL1111111111 -0.3456 21 C -2.6302 -1.9617 -0.6921 C.ar 1 UNL1111111111 -0.0374 22 C -1.6446 -1.2371 1.3907 C.ar 1 UNL1111111111 -0.0595 23 C -3.8387 -1.3734 -0.3242 C.ar 1 UNL1111111111 -0.2271 24 C -2.8466 -0.6407 1.7543 C.ar 1 UNL1111111111 -0.2294 25 C -2.9712 2.2502 -0.6764 C.2 1 UNL1111111111 0.6514 26 C -3.9535 -0.7089 0.8996 C.ar 1 UNL1111111111 0.1095 27 C -5.2322 -0.0612 1.2954 C.3 1 UNL1111111111 -0.4862 28 H 3.9012 -1.2764 -1.6682 H 1 UNL1111111111 0.1294 29 H 5.2054 2.0457 0.7562 H 1 UNL1111111111 0.1335 30 H 2.4138 0.6911 -1.8415 H 1 UNL1111111111 0.1349 31 H 3.2291 2.4788 -0.6795 H 1 UNL1111111111 0.1377 32 H 6.0570 0.0553 -0.8122 H 1 UNL1111111111 0.1454 33 H 5.0457 1.1391 -1.7673 H 1 UNL1111111111 0.1348 34 H 3.2658 -1.7176 0.9382 H 1 UNL1111111111 0.1619 35 H 4.9491 -1.9515 0.4948 H 1 UNL1111111111 0.1353 36 H 5.5625 -0.1387 1.8707 H 1 UNL1111111111 0.1357 37 H 3.8724 0.1772 2.2527 H 1 UNL1111111111 0.1360 38 H 0.6108 0.4923 -0.0742 H 1 UNL1111111111 0.1454 39 H 1.6416 -0.6615 0.8284 H 1 UNL1111111111 0.1549 40 H 2.5615 1.6134 2.1301 H 1 UNL1111111111 0.1507 41 H 1.4648 -1.6118 -1.8212 H 1 UNL1111111111 0.3006 42 H 0.5545 2.9960 1.9045 H 1 UNL1111111111 0.1493 43 H 1.1271 4.3600 -0.3607 H 1 UNL1111111111 0.1544 44 H 1.0449 2.7724 -1.1278 H 1 UNL1111111111 0.1527 45 H -1.2450 3.9137 0.6161 H 1 UNL1111111111 0.1553 46 H -1.1353 4.1464 -1.1327 H 1 UNL1111111111 0.1451 47 H -1.2816 1.4042 0.3181 H 1 UNL1111111111 0.1866 48 H -1.0623 1.5845 -1.4375 H 1 UNL1111111111 0.1935 49 H -2.5603 -2.4800 -1.6557 H 1 UNL1111111111 0.1714 50 H -0.7979 -1.1969 2.0856 H 1 UNL1111111111 0.1691 51 H -4.6934 -1.4332 -0.9934 H 1 UNL1111111111 0.1552 52 H -2.9327 -0.1238 2.7074 H 1 UNL1111111111 0.1585 53 H -6.0837 -0.3670 0.6742 H 1 UNL1111111111 0.1587 54 H -5.1541 1.0401 1.2123 H 1 UNL1111111111 0.1899 55 H -5.5013 -0.2767 2.3394 H 1 UNL1111111111 0.1653 56 H -4.3552 1.9832 -2.0635 H 1 UNL1111111111 0.3506 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 18 1 5 4 25 1 6 4 56 1 7 5 25 2 8 6 14 1 9 6 41 1 10 7 9 1 11 7 11 1 12 7 12 1 13 7 28 1 14 8 10 1 15 8 11 1 16 8 13 1 17 8 29 1 18 9 10 1 19 9 14 1 20 9 30 1 21 10 15 1 22 10 31 1 23 11 32 1 24 11 33 1 25 12 13 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 14 38 1 31 14 39 1 32 15 16 2 33 15 40 1 34 16 17 1 35 16 42 1 36 17 19 1 37 17 43 1 38 17 44 1 39 18 21 ar 40 18 22 ar 41 19 20 1 42 19 45 1 43 19 46 1 44 20 25 1 45 20 47 1 46 20 48 1 47 21 23 ar 48 21 49 1 49 22 24 ar 50 22 50 1 51 23 26 ar 52 23 51 1 53 24 26 ar 54 24 52 1 55 26 27 1 56 27 53 1 57 27 54 1 58 27 55 1