@MOLECULE n-(4-hydroxy-2-iodo-5-methoxybenzyl)nonanamide 48 48 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.0176 -0.7472 0.5861 I 1 UNL1111111111 -0.0290 2 O 0.5685 2.9813 -2.1099 O.2 1 UNL1111111111 -0.5531 3 O 2.6429 -1.4499 -1.9716 O.3 1 UNL1111111111 -0.2591 4 O 1.6888 -3.2602 -0.3926 O.3 1 UNL1111111111 -0.4226 5 N -1.2191 2.3578 -0.8728 N.am 1 UNL1111111111 -0.5930 6 C 2.0338 1.7330 2.4649 C.3 1 UNL1111111111 -0.2711 7 C 1.7650 2.4646 1.1447 C.3 1 UNL1111111111 -0.2723 8 C 3.3450 0.9377 2.4144 C.3 1 UNL1111111111 -0.2710 9 C 0.6019 3.4539 1.3032 C.3 1 UNL1111111111 -0.2577 10 C 3.2019 -0.3553 1.6035 C.3 1 UNL1111111111 -0.2671 11 C 0.2604 4.1340 -0.0263 C.3 1 UNL1111111111 -0.3700 12 C 4.5402 -1.1057 1.5449 C.3 1 UNL1111111111 -0.2475 13 C -0.0792 3.1166 -1.0918 C.2 1 UNL1111111111 0.6033 14 C 4.3838 -2.4401 0.8186 C.3 1 UNL1111111111 -0.4440 15 C -1.4843 1.2163 -1.7531 C.3 1 UNL1111111111 -0.0696 16 C -0.7001 0.0059 -1.3019 C.ar 1 UNL1111111111 -0.0470 17 C 0.5891 -0.1310 -1.8465 C.ar 1 UNL1111111111 -0.2379 18 C -1.1487 -0.9387 -0.3926 C.ar 1 UNL1111111111 -0.0636 19 C 1.3880 -1.2117 -1.5176 C.ar 1 UNL1111111111 0.1562 20 C -0.3745 -2.0573 -0.0612 C.ar 1 UNL1111111111 -0.2730 21 C 0.8794 -2.2003 -0.6340 C.ar 1 UNL1111111111 0.2052 22 C 3.2679 -0.3791 -2.6736 C.3 1 UNL1111111111 -0.2155 23 H 2.0811 2.4625 3.2958 H 1 UNL1111111111 0.1332 24 H 1.1900 1.0585 2.7029 H 1 UNL1111111111 0.1371 25 H 2.6727 2.9998 0.8080 H 1 UNL1111111111 0.1447 26 H 1.5441 1.7295 0.3459 H 1 UNL1111111111 0.1468 27 H 4.1523 1.5634 1.9904 H 1 UNL1111111111 0.1362 28 H 3.6663 0.6928 3.4451 H 1 UNL1111111111 0.1326 29 H 0.8682 4.2259 2.0525 H 1 UNL1111111111 0.1443 30 H -0.2824 2.9339 1.7162 H 1 UNL1111111111 0.1346 31 H 2.4238 -1.0009 2.0496 H 1 UNL1111111111 0.1350 32 H 2.8516 -0.1320 0.5780 H 1 UNL1111111111 0.1399 33 H -0.5709 4.8538 0.1004 H 1 UNL1111111111 0.1628 34 H 1.1256 4.7378 -0.3795 H 1 UNL1111111111 0.1799 35 H 5.2975 -0.4834 1.0327 H 1 UNL1111111111 0.1291 36 H 4.9252 -1.2759 2.5673 H 1 UNL1111111111 0.1277 37 H 5.3428 -2.9541 0.7090 H 1 UNL1111111111 0.1343 38 H 3.9648 -2.3017 -0.1894 H 1 UNL1111111111 0.1660 39 H 3.7020 -3.1111 1.3510 H 1 UNL1111111111 0.1389 40 H -1.6802 2.3584 0.0213 H 1 UNL1111111111 0.3094 41 H -1.1960 1.4919 -2.8024 H 1 UNL1111111111 0.1794 42 H -2.5803 1.0323 -1.7969 H 1 UNL1111111111 0.1524 43 H 0.9517 0.6472 -2.5269 H 1 UNL1111111111 0.2011 44 H -0.7341 -2.8146 0.6333 H 1 UNL1111111111 0.1751 45 H 1.2645 -3.9083 0.2262 H 1 UNL1111111111 0.3203 46 H 2.7712 -0.1994 -3.6321 H 1 UNL1111111111 0.1399 47 H 3.3013 0.5316 -2.0660 H 1 UNL1111111111 0.1432 48 H 4.2809 -0.7742 -2.8296 H 1 UNL1111111111 0.1553 @BOND 1 46 22 1 2 48 22 1 3 41 15 1 4 22 47 1 5 22 3 1 6 43 17 1 7 2 13 2 8 3 19 1 9 17 19 ar 10 17 16 ar 11 42 15 1 12 15 16 1 13 15 5 1 14 19 21 ar 15 16 18 ar 16 13 5 am 17 13 11 1 18 5 40 1 19 21 4 1 20 21 20 ar 21 4 45 1 22 18 20 ar 23 18 1 1 24 34 11 1 25 38 14 1 26 20 44 1 27 11 33 1 28 11 9 1 29 26 7 1 30 32 10 1 31 37 14 1 32 25 7 1 33 14 39 1 34 14 12 1 35 35 12 1 36 7 9 1 37 7 6 1 38 9 30 1 39 9 29 1 40 12 10 1 41 12 36 1 42 10 31 1 43 10 8 1 44 27 8 1 45 8 6 1 46 8 28 1 47 6 24 1 48 6 23 1