@MOLECULE phenyl (1s,2s,3s,5s)-3-[4-(~123~i)iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 47 50 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.9988 -1.0727 0.0352 I 1 UNL111111 -0.0283 2 O 1.1792 1.6749 0.8147 O.3 1 UNL111111 -0.4166 3 O 2.6254 2.1932 -0.8538 O.2 1 UNL111111 -0.4833 4 N 4.7551 -1.1783 1.0370 N.3 1 UNL111111 -0.4196 5 C 4.3994 0.1685 0.4988 C.3 1 UNL111111 0.0577 6 C 4.6141 -2.0385 -0.1746 C.3 1 UNL111111 0.0506 7 C 2.8505 0.1311 0.4384 C.3 1 UNL111111 -0.2101 8 C 2.3570 -0.9374 -0.5757 C.3 1 UNL111111 -0.0984 9 C 3.0937 -2.2714 -0.3458 C.3 1 UNL111111 -0.2853 10 C 5.0467 0.2567 -0.9111 C.3 1 UNL111111 -0.3129 11 C 5.1959 -1.2117 -1.3598 C.3 1 UNL111111 -0.3148 12 C 0.8652 -1.0835 -0.4535 C.ar 1 UNL111111 -0.0132 13 C 6.1024 -1.2231 1.6293 C.3 1 UNL111111 -0.2764 14 C 2.2693 1.4540 0.0187 C.2 1 UNL111111 0.6075 15 C 0.0534 -0.6763 -1.5147 C.ar 1 UNL111111 -0.1535 16 C 0.2782 -1.5507 0.7241 C.ar 1 UNL111111 -0.1397 17 C -1.3342 -0.6915 -1.3897 C.ar 1 UNL111111 -0.1432 18 C -1.1081 -1.5724 0.8609 C.ar 1 UNL111111 -0.1514 19 C -1.8980 -1.1250 -0.1941 C.ar 1 UNL111111 -0.0643 20 C 0.1712 2.5409 0.4675 C.ar 1 UNL111111 0.2529 21 C -1.0617 2.1694 1.0174 C.ar 1 UNL111111 -0.2265 22 C 0.3296 3.6782 -0.3154 C.ar 1 UNL111111 -0.2364 23 C -2.1678 2.9673 0.7552 C.ar 1 UNL111111 -0.1055 24 C -0.7979 4.4604 -0.5663 C.ar 1 UNL111111 -0.1044 25 C -2.0382 4.1087 -0.0390 C.ar 1 UNL111111 -0.1928 26 H 4.7413 0.9822 1.1697 H 1 UNL111111 0.1404 27 H 5.1383 -3.0058 -0.0445 H 1 UNL111111 0.1293 28 H 2.4842 -0.1458 1.4660 H 1 UNL111111 0.1991 29 H 2.6139 -0.5812 -1.6091 H 1 UNL111111 0.1595 30 H 2.7084 -2.7735 0.5634 H 1 UNL111111 0.1585 31 H 2.9035 -2.9599 -1.1866 H 1 UNL111111 0.1429 32 H 6.0208 0.7654 -0.8613 H 1 UNL111111 0.1390 33 H 4.4330 0.8511 -1.6079 H 1 UNL111111 0.1689 34 H 4.6655 -1.4154 -2.3000 H 1 UNL111111 0.1459 35 H 6.2492 -1.4717 -1.5381 H 1 UNL111111 0.1340 36 H 6.1334 -0.5442 2.4985 H 1 UNL111111 0.1483 37 H 6.9173 -0.9499 0.9431 H 1 UNL111111 0.1234 38 H 6.2901 -2.2423 2.0066 H 1 UNL111111 0.1447 39 H 0.5010 -0.3244 -2.4446 H 1 UNL111111 0.1625 40 H 0.9051 -1.8838 1.5525 H 1 UNL111111 0.1645 41 H -1.9468 -0.3508 -2.2246 H 1 UNL111111 0.1658 42 H -1.5445 -1.9293 1.7933 H 1 UNL111111 0.1630 43 H -1.1378 1.2717 1.6259 H 1 UNL111111 0.1720 44 H 1.2984 3.9550 -0.7283 H 1 UNL111111 0.1907 45 H -3.1402 2.6972 1.1656 H 1 UNL111111 0.1535 46 H -0.7026 5.3537 -1.1819 H 1 UNL111111 0.1500 47 H -2.9100 4.7246 -0.2444 H 1 UNL111111 0.1522 @BOND 1 39 15 1 2 34 11 1 3 41 17 1 4 29 8 1 5 33 10 1 6 35 11 1 7 15 17 ar 8 15 12 ar 9 17 19 ar 10 11 10 1 11 11 6 1 12 31 9 1 13 46 24 1 14 10 32 1 15 10 5 1 16 3 14 2 17 44 22 1 18 8 12 1 19 8 9 1 20 8 7 1 21 24 22 ar 22 24 25 ar 23 12 16 ar 24 9 6 1 25 9 30 1 26 22 20 ar 27 47 25 1 28 19 1 1 29 19 18 ar 30 6 27 1 31 6 4 1 32 25 23 ar 33 14 7 1 34 14 2 1 35 7 5 1 36 7 28 1 37 20 2 1 38 20 21 ar 39 5 4 1 40 5 26 1 41 16 18 ar 42 16 40 1 43 23 21 ar 44 23 45 1 45 18 42 1 46 37 13 1 47 21 43 1 48 4 13 1 49 13 38 1 50 13 36 1