@MOLECULE methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-[(2e)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylate 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.8157 -0.8312 0.0996 I 1 UNL111111 -0.0257 2 F 7.0679 -2.2460 0.0859 F 1 UNL111111 -0.1782 3 O 1.8725 -1.1704 -0.5570 O.3 1 UNL111111 -0.3799 4 O 0.1843 -1.3122 0.9134 O.2 1 UNL111111 -0.5353 5 N -0.0491 1.6174 -0.5501 N.3 1 UNL111111 -0.4488 6 C 0.3095 1.5645 0.8940 C.3 1 UNL111111 0.0529 7 C 0.9336 2.6022 -1.0799 C.3 1 UNL111111 0.0619 8 C 1.5749 0.6568 0.9540 C.3 1 UNL111111 -0.2023 9 C 2.7389 1.2962 0.1566 C.3 1 UNL111111 -0.0931 10 C 2.2530 1.8034 -1.2160 C.3 1 UNL111111 -0.2944 11 C 0.6374 3.0242 1.3154 C.3 1 UNL111111 -0.3070 12 C 1.0452 3.7198 -0.0010 C.3 1 UNL111111 -0.3154 13 C -1.4639 1.9586 -0.7960 C.3 1 UNL111111 -0.1251 14 C 3.9086 0.3500 0.0871 C.ar 1 UNL111111 -0.0338 15 C 1.1153 -0.6943 0.4567 C.2 1 UNL111111 0.6169 16 C -2.3018 0.7537 -0.4663 C.2 1 UNL111111 -0.1098 17 C 4.6278 0.1127 1.2655 C.ar 1 UNL111111 -0.1369 18 C 4.2880 -0.2946 -1.0922 C.ar 1 UNL111111 -0.0948 19 C 5.7039 -0.7688 1.2801 C.ar 1 UNL111111 -0.2129 20 C 5.3656 -1.1779 -1.1071 C.ar 1 UNL111111 -0.2226 21 C -3.6218 0.8455 -0.3309 C.2 1 UNL111111 -0.2524 22 C 6.0480 -1.3999 0.0859 C.ar 1 UNL111111 0.1913 23 C 1.4579 -2.4257 -1.0925 C.3 1 UNL111111 -0.1790 24 H -0.5078 1.1207 1.5047 H 1 UNL111111 0.1580 25 H 0.6218 3.0019 -2.0651 H 1 UNL111111 0.1309 26 H 1.8882 0.5304 2.0202 H 1 UNL111111 0.1683 27 H 3.0781 2.1998 0.7365 H 1 UNL111111 0.1503 28 H 3.0300 2.4212 -1.6941 H 1 UNL111111 0.1400 29 H 2.0580 0.9417 -1.8899 H 1 UNL111111 0.1701 30 H 1.4296 3.0675 2.0747 H 1 UNL111111 0.1453 31 H -0.2457 3.5037 1.7658 H 1 UNL111111 0.1420 32 H 0.3748 4.5590 -0.2361 H 1 UNL111111 0.1361 33 H 2.0594 4.1393 0.0451 H 1 UNL111111 0.1458 34 H -1.5819 2.1959 -1.8820 H 1 UNL111111 0.1590 35 H -1.8026 2.8579 -0.2350 H 1 UNL111111 0.1344 36 H -1.7322 -0.1795 -0.3613 H 1 UNL111111 0.1951 37 H 4.3434 0.6186 2.1867 H 1 UNL111111 0.1528 38 H 3.7305 -0.1277 -2.0148 H 1 UNL111111 0.1617 39 H 6.2567 -0.9584 2.1974 H 1 UNL111111 0.1708 40 H 5.6578 -1.6806 -2.0260 H 1 UNL111111 0.1696 41 H -4.2096 1.7461 -0.4224 H 1 UNL111111 0.1661 42 H 2.2298 -2.6411 -1.8386 H 1 UNL111111 0.1418 43 H 0.4692 -2.3247 -1.5524 H 1 UNL111111 0.1422 44 H 1.4374 -3.1890 -0.3072 H 1 UNL111111 0.1442 @BOND 1 25 7 1 2 40 20 1 3 38 18 1 4 29 10 1 5 34 13 1 6 42 23 1 7 28 10 1 8 43 23 1 9 10 7 1 10 10 9 1 11 20 18 ar 12 20 22 ar 13 23 3 1 14 23 44 1 15 18 14 ar 16 7 5 1 17 7 12 1 18 13 5 1 19 13 16 1 20 13 35 1 21 3 15 1 22 5 6 1 23 16 36 1 24 16 21 2 25 41 21 1 26 21 1 1 27 32 12 1 28 12 33 1 29 12 11 1 30 22 2 1 31 22 19 ar 32 14 9 1 33 14 17 ar 34 9 27 1 35 9 8 1 36 15 4 2 37 15 8 1 38 6 8 1 39 6 11 1 40 6 24 1 41 8 26 1 42 17 19 ar 43 17 37 1 44 19 39 1 45 11 31 1 46 11 30 1