@MOLECULE n-(3',6'-dihydroxy-2',4',5',7'-tetraiodo-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodoacetamide 44 48 0 0 0 SMALL USER_CHARGES @ATOM 1 I -5.1210 1.1128 1.4598 I 1 UNL111111 0.0762 2 I -4.0625 -3.1138 1.2507 I 1 UNL111111 0.0965 3 I -1.7324 5.4992 -1.2776 I 1 UNL111111 0.0623 4 I 0.9762 -5.0663 -1.7428 I 1 UNL111111 0.0399 5 I 8.3594 0.3064 1.4754 I 1 UNL111111 0.0293 6 O 0.1462 0.3808 -2.3244 O.3 1 UNL111111 -0.3850 7 O -2.5819 -0.4375 0.5132 O.3 1 UNL111111 -0.2513 8 O 1.9071 0.8731 -3.6083 O.2 1 UNL111111 -0.3908 9 O -4.0789 4.0979 0.3089 O.3 1 UNL111111 -0.4393 10 O -1.9358 -5.0310 -0.0018 O.3 1 UNL111111 -0.4399 11 O 5.9622 2.1519 -0.9371 O.2 1 UNL111111 -0.4613 12 N 5.0231 1.4528 1.0255 N.am 1 UNL111111 -0.5747 13 C -0.1699 0.2384 -0.9131 C.3 1 UNL111111 0.3102 14 C 1.1346 0.5367 -0.2035 C.ar 1 UNL111111 -0.0850 15 C -1.2328 1.2361 -0.5950 C.ar 1 UNL111111 -0.2233 16 C -0.6205 -1.1689 -0.7030 C.ar 1 UNL111111 -0.2205 17 C 2.1119 0.8266 -1.1672 C.ar 1 UNL111111 -0.1319 18 C -2.3826 0.8489 0.0890 C.ar 1 UNL111111 0.2905 19 C -1.8054 -1.4347 -0.0133 C.ar 1 UNL111111 0.2820 20 C 1.4803 0.7235 -2.5036 C.2 1 UNL111111 0.5703 21 C 1.4391 0.5502 1.1419 C.ar 1 UNL111111 -0.0773 22 C -1.0838 2.5685 -0.9839 C.ar 1 UNL111111 -0.0037 23 C 0.1353 -2.2294 -1.1954 C.ar 1 UNL111111 0.0040 24 C 3.4100 1.1382 -0.8290 C.ar 1 UNL111111 -0.1323 25 C -3.3898 1.7637 0.4261 C.ar 1 UNL111111 -0.3145 26 C -2.2492 -2.7398 0.2178 C.ar 1 UNL111111 -0.2558 27 C 2.7486 0.8634 1.5136 C.ar 1 UNL111111 -0.2222 28 C 3.7273 1.1575 0.5456 C.ar 1 UNL111111 0.2089 29 C -2.0574 3.5006 -0.6632 C.ar 1 UNL111111 -0.2162 30 C -0.2719 -3.5399 -0.9752 C.ar 1 UNL111111 -0.2744 31 C -3.2106 3.1018 0.0450 C.ar 1 UNL111111 0.3387 32 C -1.4608 -3.7978 -0.2712 C.ar 1 UNL111111 0.3372 33 C 6.0775 1.9268 0.2429 C.2 1 UNL111111 0.5819 34 C 7.3681 2.1635 0.9888 C.3 1 UNL111111 -0.4187 35 H 0.6866 0.3253 1.8971 H 1 UNL111111 0.1688 36 H -0.1828 2.8472 -1.5462 H 1 UNL111111 0.1866 37 H 1.0496 -1.9980 -1.7560 H 1 UNL111111 0.1848 38 H 4.1517 1.3568 -1.6042 H 1 UNL111111 0.2135 39 H 3.0050 0.8800 2.5714 H 1 UNL111111 0.1582 40 H 5.1751 1.3029 2.0189 H 1 UNL111111 0.3154 41 H -4.9113 3.8231 0.7686 H 1 UNL111111 0.3403 42 H -1.4213 -5.7733 -0.4060 H 1 UNL111111 0.3410 43 H 7.2285 2.7281 1.9234 H 1 UNL111111 0.1792 44 H 8.0629 2.7453 0.3491 H 1 UNL111111 0.2023 @BOND 1 8 20 2 2 20 6 1 3 20 17 1 4 6 13 1 5 37 23 1 6 4 30 1 7 38 24 1 8 36 22 1 9 3 29 1 10 23 30 ar 11 23 16 ar 12 17 24 ar 13 17 14 ar 14 22 29 ar 15 22 15 ar 16 30 32 ar 17 11 33 2 18 13 16 1 19 13 15 1 20 13 14 1 21 24 28 ar 22 16 19 ar 23 29 31 ar 24 15 18 ar 25 42 10 1 26 32 10 1 27 32 26 ar 28 14 21 ar 29 19 26 ar 30 19 7 1 31 31 9 1 32 31 25 ar 33 18 25 ar 34 18 7 1 35 26 2 1 36 33 34 1 37 33 12 am 38 9 41 1 39 44 34 1 40 25 1 1 41 28 12 1 42 28 27 ar 43 34 5 1 44 34 43 1 45 12 40 1 46 21 27 ar 47 21 35 1 48 27 39 1