@MOLECULE methyl (1r,5s)-8-allyl-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1006 0.3127 0.0115 O.3 1 UNL1111111111 -0.4603 2 O 0.5591 -2.8649 -0.0110 O.3 1 UNL1111111111 -0.4007 3 O 0.6082 -1.9509 2.0412 O.2 1 UNL1111111111 -0.5072 4 O -2.0692 1.7979 1.3866 O.2 1 UNL1111111111 -0.5055 5 N 2.7379 0.9462 -0.6681 N.3 1 UNL1111111111 -0.4378 6 C 2.5498 -0.2457 0.2077 C.3 1 UNL1111111111 0.0571 7 C 2.2117 2.0481 0.1905 C.3 1 UNL1111111111 0.0568 8 C 1.0399 -0.5813 0.0746 C.3 1 UNL1111111111 -0.2501 9 C 2.9140 0.2113 1.6485 C.3 1 UNL1111111111 -0.3220 10 C 2.6966 1.7376 1.6370 C.3 1 UNL1111111111 -0.3134 11 C 0.6750 1.9513 0.0906 C.3 1 UNL1111111111 -0.3340 12 C 0.1813 0.5905 0.5968 C.3 1 UNL1111111111 0.1745 13 C 4.1443 1.1468 -1.0817 C.3 1 UNL1111111111 -0.1286 14 C 0.7155 -1.8264 0.8487 C.2 1 UNL1111111111 0.5929 15 C 4.5214 0.0964 -2.0872 C.2 1 UNL1111111111 -0.1097 16 C -2.1741 0.9681 0.5179 C.2 1 UNL1111111111 0.6177 17 C 5.7803 -0.2953 -2.2743 C.2 1 UNL1111111111 -0.3508 18 C 0.2099 -4.1142 0.5762 C.3 1 UNL1111111111 -0.1705 19 C -3.4152 0.5278 -0.1443 C.ar 1 UNL1111111111 -0.1446 20 C -4.5886 1.2350 0.1299 C.ar 1 UNL1111111111 -0.0788 21 C -3.4299 -0.5643 -1.0133 C.ar 1 UNL1111111111 -0.0725 22 C -5.7819 0.8475 -0.4735 C.ar 1 UNL1111111111 -0.1794 23 C -4.6274 -0.9463 -1.6143 C.ar 1 UNL1111111111 -0.1810 24 C -5.8000 -0.2414 -1.3449 C.ar 1 UNL1111111111 -0.1007 25 H 3.1670 -1.1032 -0.1327 H 1 UNL1111111111 0.1457 26 H 2.5592 3.0387 -0.1646 H 1 UNL1111111111 0.1323 27 H 0.8124 -0.7277 -1.0189 H 1 UNL1111111111 0.2079 28 H 2.2931 -0.2910 2.4097 H 1 UNL1111111111 0.1711 29 H 3.9556 -0.0485 1.8884 H 1 UNL1111111111 0.1421 30 H 1.9602 2.0558 2.3899 H 1 UNL1111111111 0.1544 31 H 3.6258 2.2786 1.8661 H 1 UNL1111111111 0.1368 32 H 0.1931 2.7668 0.6617 H 1 UNL1111111111 0.1645 33 H 0.3682 2.0866 -0.9673 H 1 UNL1111111111 0.1719 34 H 0.0767 0.5695 1.7062 H 1 UNL1111111111 0.1583 35 H 4.2179 2.1493 -1.5704 H 1 UNL1111111111 0.1526 36 H 4.8507 1.1622 -0.2226 H 1 UNL1111111111 0.1306 37 H 3.6861 -0.3034 -2.6648 H 1 UNL1111111111 0.1620 38 H 6.6214 0.0841 -1.7175 H 1 UNL1111111111 0.1437 39 H 6.0690 -1.0312 -3.0083 H 1 UNL1111111111 0.1485 40 H 0.2226 -4.8011 -0.2772 H 1 UNL1111111111 0.1418 41 H 0.9469 -4.4039 1.3329 H 1 UNL1111111111 0.1401 42 H -0.7883 -4.0465 1.0225 H 1 UNL1111111111 0.1405 43 H -4.5629 2.0845 0.8173 H 1 UNL1111111111 0.1719 44 H -2.5096 -1.1153 -1.2216 H 1 UNL1111111111 0.1730 45 H -6.6998 1.3929 -0.2637 H 1 UNL1111111111 0.1559 46 H -4.6460 -1.7942 -2.2957 H 1 UNL1111111111 0.1547 47 H -6.7346 -0.5426 -1.8164 H 1 UNL1111111111 0.1482 @BOND 1 1 12 1 2 1 16 1 3 2 14 1 4 2 18 1 5 3 14 2 6 4 16 2 7 5 6 1 8 5 7 1 9 5 13 1 10 6 8 1 11 6 9 1 12 6 25 1 13 7 10 1 14 7 11 1 15 7 26 1 16 8 12 1 17 8 14 1 18 8 27 1 19 9 10 1 20 9 28 1 21 9 29 1 22 10 30 1 23 10 31 1 24 11 12 1 25 11 32 1 26 11 33 1 27 12 34 1 28 13 15 1 29 13 35 1 30 13 36 1 31 15 17 2 32 15 37 1 33 16 19 1 34 17 38 1 35 17 39 1 36 18 40 1 37 18 41 1 38 18 42 1 39 19 20 ar 40 19 21 ar 41 20 22 ar 42 20 43 1 43 21 23 ar 44 21 44 1 45 22 24 ar 46 22 45 1 47 23 24 ar 48 23 46 1 49 24 47 1