@MOLECULE methyl (1r)-3-(benzoyloxy)-8-formyl-8-azabicyclo[3.2.1]octane-2-carboxylate 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7439 -0.3449 0.0177 O.3 1 UNL111111111 -0.4617 2 O 0.6300 2.8064 -0.1910 O.3 1 UNL111111111 -0.3869 3 O 1.1705 2.0464 1.8549 O.2 1 UNL111111111 -0.5092 4 O 3.5183 0.0213 -2.7879 O.2 1 UNL111111111 -0.5223 5 O -1.5940 -1.7504 1.5444 O.2 1 UNL111111111 -0.5054 6 N 3.1135 -0.9494 -0.8022 N.am 1 UNL111111111 -0.5343 7 C 2.9014 0.2922 -0.0413 C.3 1 UNL111111111 0.1163 8 C 2.5937 -2.0311 0.0551 C.3 1 UNL111111111 0.1043 9 C 1.3743 0.5966 -0.0871 C.3 1 UNL111111111 -0.2862 10 C 3.3665 -0.1111 1.3834 C.3 1 UNL111111111 -0.2989 11 C 3.1631 -1.6439 1.4507 C.3 1 UNL111111111 -0.2868 12 C 1.0515 -1.9549 0.0526 C.3 1 UNL111111111 -0.3699 13 C 0.5749 -0.5736 0.5277 C.3 1 UNL111111111 0.1708 14 C 1.0649 1.8564 0.6703 C.2 1 UNL111111111 0.5955 15 C 3.3176 -1.0006 -2.1634 C.2 1 UNL111111111 0.4758 16 C -1.7759 -0.9693 0.6440 C.2 1 UNL111111111 0.6170 17 C 0.2706 4.0577 0.3880 C.3 1 UNL111111111 -0.1707 18 C -3.0628 -0.5570 0.0606 C.ar 1 UNL111111111 -0.1494 19 C -4.2223 -1.1786 0.5318 C.ar 1 UNL111111111 -0.0754 20 C -3.1338 0.4271 -0.9271 C.ar 1 UNL111111111 -0.0667 21 C -5.4590 -0.8136 0.0069 C.ar 1 UNL111111111 -0.1804 22 C -4.3747 0.7875 -1.4476 C.ar 1 UNL111111111 -0.1804 23 C -5.5337 0.1675 -0.9817 C.ar 1 UNL111111111 -0.0968 24 H 3.4856 1.1340 -0.4768 H 1 UNL111111111 0.1681 25 H 2.9491 -3.0254 -0.2868 H 1 UNL111111111 0.1367 26 H 1.0749 0.7150 -1.1663 H 1 UNL111111111 0.2079 27 H 2.8003 0.4176 2.1691 H 1 UNL111111111 0.1731 28 H 4.4249 0.1569 1.5328 H 1 UNL111111111 0.1519 29 H 4.1174 -2.1601 1.6391 H 1 UNL111111111 0.1455 30 H 2.4819 -1.9335 2.2640 H 1 UNL111111111 0.1523 31 H 0.6587 -2.1570 -0.9623 H 1 UNL111111111 0.1649 32 H 0.6193 -2.7409 0.7033 H 1 UNL111111111 0.1751 33 H 0.5459 -0.5112 1.6414 H 1 UNL111111111 0.1609 34 H 3.3450 -2.0019 -2.6121 H 1 UNL111111111 0.1292 35 H -0.0371 4.6495 -0.4815 H 1 UNL111111111 0.1460 36 H 1.1340 4.5046 0.8914 H 1 UNL111111111 0.1395 37 H -0.5561 3.9219 1.0937 H 1 UNL111111111 0.1413 38 H -4.1511 -1.9441 1.3089 H 1 UNL111111111 0.1716 39 H -2.2240 0.9125 -1.2894 H 1 UNL111111111 0.1745 40 H -6.3662 -1.2935 0.3686 H 1 UNL111111111 0.1568 41 H -4.4378 1.5532 -2.2186 H 1 UNL111111111 0.1571 42 H -6.5027 0.4515 -1.3913 H 1 UNL111111111 0.1493 @BOND 1 1 13 1 2 1 16 1 3 2 14 1 4 2 17 1 5 3 14 2 6 4 15 2 7 5 16 2 8 6 7 1 9 6 8 1 10 6 15 am 11 7 9 1 12 7 10 1 13 7 24 1 14 8 11 1 15 8 12 1 16 8 25 1 17 9 13 1 18 9 14 1 19 9 26 1 20 10 11 1 21 10 27 1 22 10 28 1 23 11 29 1 24 11 30 1 25 12 13 1 26 12 31 1 27 12 32 1 28 13 33 1 29 15 34 1 30 16 18 1 31 17 35 1 32 17 36 1 33 17 37 1 34 18 19 ar 35 18 20 ar 36 19 21 ar 37 19 38 1 38 20 22 ar 39 20 39 1 40 21 23 ar 41 21 40 1 42 22 23 ar 43 22 41 1 44 23 42 1