@MOLECULE (3r)-1-azabicyclo[2.2.2]oct-3-yl (2r)-2-(hydroxymethyl)-4-[(s)-methylsulfinyl]-2-phenylbutanoate 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5284 -2.5873 0.1361 S.O 1 UNL1111111111 1.1199 2 O 1.3556 0.3850 0.1823 O.3 1 UNL1111111111 -0.4447 3 O 0.9921 2.4496 0.9729 O.2 1 UNL1111111111 -0.5275 4 O -1.4251 2.9408 2.0694 O.3 1 UNL1111111111 -0.5566 5 O -3.2009 -3.6820 0.8768 O.2 1 UNL1111111111 -0.8120 6 N 4.5317 -0.7864 0.6929 N.3 1 UNL1111111111 -0.3798 7 C 3.0441 -0.1885 -1.3510 C.3 1 UNL1111111111 -0.1235 8 C 2.7135 0.7147 -0.1431 C.3 1 UNL1111111111 0.0878 9 C 4.5298 0.0355 -1.6867 C.3 1 UNL1111111111 -0.3239 10 C 2.8348 -1.6591 -0.9462 C.3 1 UNL1111111111 -0.3100 11 C 3.6084 0.3165 1.0542 C.3 1 UNL1111111111 -0.1626 12 C 5.3788 -0.3505 -0.4469 C.3 1 UNL1111111111 -0.1201 13 C 3.7332 -1.9683 0.2788 C.3 1 UNL1111111111 -0.1235 14 C -0.8328 0.8257 0.9773 C.3 1 UNL1111111111 -0.0826 15 C 0.5828 1.3391 0.7333 C.2 1 UNL1111111111 0.5932 16 C -0.8207 -0.6964 1.2563 C.3 1 UNL1111111111 -0.2456 17 C -1.3448 1.5521 2.2496 C.3 1 UNL1111111111 0.0040 18 C -1.6116 1.1341 -0.2779 C.ar 1 UNL1111111111 -0.0190 19 C -2.2216 -1.2774 1.4101 C.3 1 UNL1111111111 -0.5086 20 C -1.1605 0.6078 -1.4950 C.ar 1 UNL1111111111 -0.1654 21 C -2.7632 1.9204 -0.2614 C.ar 1 UNL1111111111 -0.1388 22 C -1.8567 0.8573 -2.6729 C.ar 1 UNL1111111111 -0.1525 23 C -3.4616 2.1680 -1.4432 C.ar 1 UNL1111111111 -0.1509 24 C -3.0125 1.6372 -2.6489 C.ar 1 UNL1111111111 -0.1498 25 C -3.8323 -1.7527 -0.8225 C.3 1 UNL1111111111 -0.6846 26 H 2.3975 0.0711 -2.2144 H 1 UNL1111111111 0.1448 27 H 2.7845 1.7936 -0.3900 H 1 UNL1111111111 0.1513 28 H 4.8192 -0.5728 -2.5597 H 1 UNL1111111111 0.1462 29 H 4.7124 1.0843 -1.9743 H 1 UNL1111111111 0.1457 30 H 1.7729 -1.8429 -0.7037 H 1 UNL1111111111 0.1554 31 H 3.0796 -2.3266 -1.7875 H 1 UNL1111111111 0.1366 32 H 4.2077 1.1803 1.4095 H 1 UNL1111111111 0.1564 33 H 2.9873 -0.0069 1.9164 H 1 UNL1111111111 0.1579 34 H 6.0016 0.5035 -0.1102 H 1 UNL1111111111 0.1434 35 H 6.0813 -1.1735 -0.6897 H 1 UNL1111111111 0.1421 36 H 3.1220 -2.2955 1.1448 H 1 UNL1111111111 0.1428 37 H 4.4345 -2.7981 0.0586 H 1 UNL1111111111 0.1383 38 H -0.2483 -1.2099 0.4526 H 1 UNL1111111111 0.1654 39 H -0.2253 -0.8937 2.1727 H 1 UNL1111111111 0.1515 40 H -2.3811 1.2579 2.5014 H 1 UNL1111111111 0.1493 41 H -0.6859 1.3402 3.1133 H 1 UNL1111111111 0.1276 42 H -2.3482 -1.7481 2.4035 H 1 UNL1111111111 0.1786 43 H -2.9988 -0.4990 1.3623 H 1 UNL1111111111 0.1646 44 H -0.2539 0.0016 -1.5272 H 1 UNL1111111111 0.1625 45 H -3.1221 2.3702 0.6681 H 1 UNL1111111111 0.1813 46 H -0.5596 3.2873 1.7390 H 1 UNL1111111111 0.3501 47 H -1.4967 0.4466 -3.6138 H 1 UNL1111111111 0.1494 48 H -4.3576 2.7862 -1.4197 H 1 UNL1111111111 0.1552 49 H -3.5568 1.8347 -3.5699 H 1 UNL1111111111 0.1499 50 H -3.4814 -0.7923 -1.2162 H 1 UNL1111111111 0.1821 51 H -4.1228 -2.3789 -1.6718 H 1 UNL1111111111 0.1746 52 H -4.7403 -1.5739 -0.2403 H 1 UNL1111111111 0.1742 @BOND 1 1 5 2 2 1 19 1 3 1 25 1 4 2 8 1 5 2 15 1 6 3 15 2 7 4 17 1 8 4 46 1 9 6 11 1 10 6 12 1 11 6 13 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 26 1 16 8 11 1 17 8 27 1 18 9 12 1 19 9 28 1 20 9 29 1 21 10 13 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 36 1 29 13 37 1 30 14 15 1 31 14 16 1 32 14 17 1 33 14 18 1 34 16 19 1 35 16 38 1 36 16 39 1 37 17 40 1 38 17 41 1 39 18 20 ar 40 18 21 ar 41 19 42 1 42 19 43 1 43 20 22 ar 44 20 44 1 45 21 23 ar 46 21 45 1 47 22 24 ar 48 22 47 1 49 23 24 ar 50 23 48 1 51 24 49 1 52 25 50 1 53 25 51 1 54 25 52 1