@MOLECULE 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one 37 41 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.3154 -3.7846 0.6073 I 1 UNL111111 0.0830 2 I 2.0721 -3.8454 0.7853 I 1 UNL111111 0.1034 3 I -5.4491 1.1106 -1.5077 I 1 UNL111111 0.0662 4 I 5.4091 0.7329 -1.6940 I 1 UNL111111 0.0444 5 CL 0.0645 0.3315 2.3710 Cl 1 UNL111111 0.0239 6 CL 0.2830 6.0165 -0.0561 Cl 1 UNL111111 0.0389 7 CL 0.2514 2.8205 4.2574 Cl 1 UNL111111 0.0312 8 CL 0.3573 5.6605 3.0385 Cl 1 UNL111111 0.0236 9 O 0.0071 1.8701 -1.9415 O.3 1 UNL111111 -0.3706 10 O -0.0792 -1.6663 0.1179 O.3 1 UNL111111 -0.2416 11 O 0.0894 4.0267 -2.5294 O.2 1 UNL111111 -0.3633 12 O -4.8352 -1.7649 -0.3547 O.3 1 UNL111111 -0.4366 13 O 4.5356 -2.2226 -0.2740 O.3 1 UNL111111 -0.4366 14 C 0.0035 1.0685 -0.7366 C.3 1 UNL111111 0.3200 15 C 0.0768 2.0866 0.3894 C.ar 1 UNL111111 -0.0306 16 C -1.2621 0.2848 -0.6868 C.ar 1 UNL111111 -0.2347 17 C 1.2147 0.1995 -0.7307 C.ar 1 UNL111111 -0.2335 18 C 0.1266 3.3711 -0.1709 C.ar 1 UNL111111 -0.1901 19 C -1.2396 -1.0363 -0.2420 C.ar 1 UNL111111 0.3014 20 C 1.1165 -1.1076 -0.2452 C.ar 1 UNL111111 0.2917 21 C 0.0764 3.2258 -1.6467 C.2 1 UNL111111 0.5783 22 C 0.1152 1.9029 1.7538 C.ar 1 UNL111111 -0.0277 23 C -2.4766 0.8657 -1.0548 C.ar 1 UNL111111 -0.0012 24 C 2.4508 0.6848 -1.1462 C.ar 1 UNL111111 0.0067 25 C 0.2147 4.4837 0.6394 C.ar 1 UNL111111 0.0489 26 C -2.4125 -1.7897 -0.1018 C.ar 1 UNL111111 -0.3162 27 C 2.2434 -1.9145 -0.0712 C.ar 1 UNL111111 -0.2574 28 C 0.2020 3.0287 2.5804 C.ar 1 UNL111111 0.0025 29 C -3.6543 0.1464 -0.9364 C.ar 1 UNL111111 -0.2169 30 C 3.5865 -0.1064 -1.0238 C.ar 1 UNL111111 -0.2760 31 C 0.2507 4.3057 2.0286 C.ar 1 UNL111111 -0.0700 32 C -3.6269 -1.1779 -0.4478 C.ar 1 UNL111111 0.3441 33 C 3.4895 -1.3951 -0.4691 C.ar 1 UNL111111 0.3428 34 H -2.4673 1.8943 -1.4375 H 1 UNL111111 0.1852 35 H 2.4983 1.6974 -1.5669 H 1 UNL111111 0.1843 36 H -4.8289 -2.6972 -0.0206 H 1 UNL111111 0.3412 37 H 5.4137 -1.8590 -0.5532 H 1 UNL111111 0.3415 @BOND 1 11 21 2 2 9 21 1 3 9 14 1 4 4 30 1 5 21 18 1 6 35 24 1 7 3 29 1 8 34 23 1 9 24 30 ar 10 24 17 ar 11 23 29 ar 12 23 16 ar 13 30 33 ar 14 29 32 ar 15 14 17 1 16 14 16 1 17 14 15 1 18 17 20 ar 19 16 19 ar 20 37 13 1 21 33 13 1 22 33 27 ar 23 32 12 1 24 32 26 ar 25 12 36 1 26 20 27 ar 27 20 10 1 28 19 26 ar 29 19 10 1 30 18 15 ar 31 18 25 ar 32 26 1 1 33 27 2 1 34 6 25 1 35 15 22 ar 36 25 31 ar 37 22 5 1 38 22 28 ar 39 31 28 ar 40 31 8 1 41 28 7 1