@MOLECULE (3r)-1-azabicyclo[2.2.2]oct-3-yl (2s,4e)-2-hydroxy-5-iodo-2-phenyl-4-pentenoate 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.4055 1.3435 -0.1423 I 1 UNL111111 -0.0266 2 O 1.1672 -0.9613 0.2754 O.3 1 UNL111111 -0.4354 3 O 1.8677 2.3102 1.3990 O.3 1 UNL111111 -0.5357 4 O 1.5870 -0.2073 2.3586 O.2 1 UNL111111 -0.4977 5 N -1.5856 -3.0538 0.3253 N.3 1 UNL111111 -0.3761 6 C 0.9030 -3.1976 -0.4013 C.3 1 UNL111111 -0.1130 7 C 0.7298 -2.2303 0.7884 C.3 1 UNL111111 0.0918 8 C 0.4015 -4.5769 0.0650 C.3 1 UNL111111 -0.3254 9 C 0.0287 -2.7112 -1.5719 C.3 1 UNL111111 -0.3106 10 C -0.7699 -2.1333 1.1534 C.3 1 UNL111111 -0.1651 11 C -1.0802 -4.4390 0.5043 C.3 1 UNL111111 -0.1197 12 C -1.4483 -2.6702 -1.1027 C.3 1 UNL111111 -0.1180 13 C 1.5551 -0.0345 1.1682 C.2 1 UNL111111 0.5451 14 C 1.9686 1.2655 0.4603 C.3 1 UNL111111 0.2384 15 C 0.9988 1.6455 -0.6711 C.3 1 UNL111111 -0.2964 16 C 3.3832 1.1325 -0.0459 C.ar 1 UNL111111 -0.0828 17 C 4.3216 2.1133 0.2718 C.ar 1 UNL111111 -0.1218 18 C 3.7462 0.0487 -0.8470 C.ar 1 UNL111111 -0.1448 19 C -0.4027 1.7474 -0.1632 C.2 1 UNL111111 -0.0957 20 C 5.6285 2.0015 -0.1993 C.ar 1 UNL111111 -0.1539 21 C 5.0521 -0.0592 -1.3171 C.ar 1 UNL111111 -0.1479 22 C 5.9948 0.9153 -0.9913 C.ar 1 UNL111111 -0.1381 23 C -1.4221 1.2076 -0.8274 C.2 1 UNL111111 -0.2427 24 H 1.9679 -3.2447 -0.7086 H 1 UNL111111 0.1441 25 H 1.3633 -2.5065 1.6551 H 1 UNL111111 0.1463 26 H 0.4972 -5.3117 -0.7513 H 1 UNL111111 0.1444 27 H 1.0205 -4.9601 0.8928 H 1 UNL111111 0.1425 28 H 0.3581 -1.7107 -1.9021 H 1 UNL111111 0.1481 29 H 0.1439 -3.3775 -2.4414 H 1 UNL111111 0.1382 30 H -1.1407 -1.0958 1.0077 H 1 UNL111111 0.1632 31 H -0.9393 -2.3729 2.2234 H 1 UNL111111 0.1556 32 H -1.2069 -4.7210 1.5694 H 1 UNL111111 0.1416 33 H -1.7309 -5.1212 -0.0792 H 1 UNL111111 0.1408 34 H -2.0773 -3.3537 -1.7074 H 1 UNL111111 0.1378 35 H -1.8770 -1.6558 -1.2304 H 1 UNL111111 0.1397 36 H 1.3099 2.6328 -1.0893 H 1 UNL111111 0.1849 37 H 1.0968 0.9180 -1.5037 H 1 UNL111111 0.1685 38 H 2.1491 2.0083 2.2980 H 1 UNL111111 0.3441 39 H 4.0328 2.9714 0.8821 H 1 UNL111111 0.1703 40 H 3.0130 -0.7169 -1.1063 H 1 UNL111111 0.1652 41 H -0.5020 2.3034 0.7748 H 1 UNL111111 0.1802 42 H 6.3623 2.7650 0.0516 H 1 UNL111111 0.1511 43 H 5.3369 -0.9058 -1.9386 H 1 UNL111111 0.1505 44 H 7.0160 0.8277 -1.3565 H 1 UNL111111 0.1476 45 H -1.3522 0.6577 -1.7547 H 1 UNL111111 0.1672 @BOND 1 29 9 1 2 43 21 1 3 28 9 1 4 45 23 1 5 34 12 1 6 9 12 1 7 9 6 1 8 37 15 1 9 44 22 1 10 21 22 ar 11 21 18 ar 12 35 12 1 13 40 18 1 14 12 5 1 15 36 15 1 16 22 20 ar 17 18 16 ar 18 23 19 2 19 23 1 1 20 26 8 1 21 24 6 1 22 15 19 1 23 15 14 1 24 6 8 1 25 6 7 1 26 20 42 1 27 20 17 ar 28 19 41 1 29 33 11 1 30 16 17 ar 31 16 14 1 32 8 11 1 33 8 27 1 34 17 39 1 35 2 7 1 36 2 13 1 37 5 11 1 38 5 10 1 39 14 13 1 40 14 3 1 41 11 32 1 42 7 10 1 43 7 25 1 44 30 10 1 45 10 31 1 46 13 4 2 47 3 38 1