@MOLECULE (r)-quinuclidinyl (2s)-2-b-hydroxy-a-(2-((r)-methylsulfinyl)ethyl)hydratropate 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.6011 -1.4669 0.5523 S.O 1 UNL1111111111 1.1172 2 O 1.5776 -0.0422 0.0518 O.3 1 UNL1111111111 -0.4534 3 O 0.3853 -0.3258 1.9316 O.2 1 UNL1111111111 -0.5076 4 O -0.1219 -1.8359 -1.5692 O.3 1 UNL1111111111 -0.5196 5 O -4.3621 -2.9073 0.3061 O.2 1 UNL1111111111 -0.7915 6 N 4.5656 -1.7164 -0.0199 N.3 1 UNL1111111111 -0.3787 7 C 3.7932 0.7665 0.0437 C.3 1 UNL1111111111 -0.1157 8 C 2.8004 -0.1476 0.7960 C.3 1 UNL1111111111 0.0875 9 C 5.1559 0.6120 0.7459 C.3 1 UNL1111111111 -0.3237 10 C 3.9050 0.2746 -1.4103 C.3 1 UNL1111111111 -0.3107 11 C 3.2794 -1.6165 0.7110 C.3 1 UNL1111111111 -0.1595 12 C 5.5760 -0.8806 0.6808 C.3 1 UNL1111111111 -0.1183 13 C 4.3776 -1.2020 -1.4014 C.3 1 UNL1111111111 -0.1174 14 C -0.7711 0.0459 -0.1936 C.3 1 UNL1111111111 -0.0779 15 C 0.4207 -0.1418 0.7406 C.2 1 UNL1111111111 0.5856 16 C -1.9179 -0.8128 0.3953 C.3 1 UNL1111111111 -0.2439 17 C -0.4020 -0.4563 -1.6093 C.3 1 UNL1111111111 -0.0025 18 C -1.0849 1.5215 -0.1495 C.ar 1 UNL1111111111 -0.0154 19 C -3.2425 -0.5505 -0.2980 C.3 1 UNL1111111111 -0.5061 20 C -1.2827 2.1223 1.0995 C.ar 1 UNL1111111111 -0.1602 21 C -1.1597 2.3067 -1.3005 C.ar 1 UNL1111111111 -0.1635 22 C -1.5294 3.4870 1.1925 C.ar 1 UNL1111111111 -0.1467 23 C -1.4159 3.6751 -1.2038 C.ar 1 UNL1111111111 -0.1428 24 C -1.5917 4.2706 0.0420 C.ar 1 UNL1111111111 -0.1521 25 C -5.9092 -0.9631 -0.6197 C.3 1 UNL1111111111 -0.6841 26 H 3.4440 1.8181 0.0725 H 1 UNL1111111111 0.1461 27 H 2.6365 0.1871 1.8414 H 1 UNL1111111111 0.1488 28 H 5.9148 1.2478 0.2589 H 1 UNL1111111111 0.1453 29 H 5.0976 0.9597 1.7908 H 1 UNL1111111111 0.1424 30 H 2.9300 0.3680 -1.9193 H 1 UNL1111111111 0.1505 31 H 4.6092 0.9068 -1.9758 H 1 UNL1111111111 0.1388 32 H 3.4084 -2.0560 1.7188 H 1 UNL1111111111 0.1544 33 H 2.5215 -2.2432 0.1928 H 1 UNL1111111111 0.1532 34 H 5.7217 -1.2944 1.7015 H 1 UNL1111111111 0.1407 35 H 6.5440 -0.9963 0.1529 H 1 UNL1111111111 0.1404 36 H 3.6432 -1.8565 -1.9172 H 1 UNL1111111111 0.1416 37 H 5.3345 -1.3155 -1.9479 H 1 UNL1111111111 0.1381 38 H -1.6384 -1.8904 0.3035 H 1 UNL1111111111 0.1854 39 H -1.9890 -0.6259 1.4901 H 1 UNL1111111111 0.1609 40 H -1.2582 -0.3980 -2.3073 H 1 UNL1111111111 0.1493 41 H 0.4584 0.0930 -2.0338 H 1 UNL1111111111 0.1316 42 H -3.4857 0.5256 -0.2980 H 1 UNL1111111111 0.1601 43 H -3.1825 -0.8673 -1.3542 H 1 UNL1111111111 0.1674 44 H -1.2369 1.5242 2.0139 H 1 UNL1111111111 0.1741 45 H -1.0163 1.8741 -2.2882 H 1 UNL1111111111 0.1551 46 H 0.7193 -1.9954 -1.0915 H 1 UNL1111111111 0.3136 47 H -1.6682 3.9426 2.1729 H 1 UNL1111111111 0.1503 48 H -1.4708 4.2766 -2.1096 H 1 UNL1111111111 0.1508 49 H -1.7745 5.3407 0.1181 H 1 UNL1111111111 0.1506 50 H -5.7120 -1.3079 -1.6393 H 1 UNL1111111111 0.1737 51 H -6.8641 -1.4016 -0.3157 H 1 UNL1111111111 0.1746 52 H -6.0273 0.1198 -0.6361 H 1 UNL1111111111 0.1632 @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