@MOLECULE n-[2-({3-[4-hydroxy-3-(~125~i)iodophenyl]propanoyl}amino)ethyl]-5-[(3as,4s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide 32 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 9.4462 -0.7952 -0.5333 I 1 UNL1 0.1770 2 S -9.9129 -1.7800 -1.0497 S.O 1 UNL1 1.3265 3 O -11.1926 -2.4144 -0.7102 O.2 1 UNL1 -0.7358 4 O -11.0577 4.4032 -0.1790 O.2 1 UNL1 -0.2101 5 O -3.3343 2.9370 0.9350 O.2 1 UNL1 -0.3596 6 O 1.6075 -2.3409 -0.1753 O.2 1 UNL1 -0.3651 7 O 9.2515 2.4536 0.4737 O.2 1 UNL1 -0.3055 8 N -9.4101 -3.6443 2.1893 N.1 1 UNL1 -0.1855 9 N -10.3287 2.4024 -1.2556 N.2 1 UNL1 -0.4305 10 N -2.3094 1.2257 -0.1838 N.am 1 UNL1 -0.2980 11 N 0.7423 -0.5871 1.0009 N.am 1 UNL1 -0.2936 12 C -9.1461 -2.8678 1.3674 C.1 1 UNL1 0.1206 13 C -8.8365 -1.9176 0.3893 C.3 1 UNL1 -0.2434 14 C -10.2330 1.0998 -1.0833 C.1 1 UNL1 0.2542 15 C -10.0811 -0.1084 -1.0315 C.1 1 UNL1 -0.4412 16 C -7.7039 -1.1659 0.4376 C.1 1 UNL1 0.0262 17 C -10.7466 3.3524 -0.5678 C.1 1 UNL1 0.5879 18 C -6.6905 -0.4653 0.4592 C.1 1 UNL1 -0.0494 19 C -5.5828 0.3046 0.4759 C.1 1 UNL1 0.0944 20 C -4.5802 0.9983 0.4880 C.1 1 UNL1 -0.1697 21 C -3.4134 1.8147 0.5077 C.2 1 UNL1 0.5975 22 C -1.3134 0.6570 0.2488 C.1 1 UNL1 0.1182 23 C -0.2379 0.0120 0.5716 C.1 1 UNL1 0.1173 24 C 3.0504 -0.5783 0.3654 C.1 1 UNL1 -0.1376 25 C 1.7956 -1.2505 0.3019 C.2 1 UNL1 0.5921 26 C 4.1401 -0.0342 0.3969 C.1 1 UNL1 0.0575 27 C 5.3787 0.5737 0.4245 C.3 1 UNL1 0.0626 28 C 6.6213 0.0237 0.0904 C.2 1 UNL1 0.0195 29 C 5.7406 1.8971 0.7848 C.2 1 UNL1 -0.0224 30 C 7.9004 0.4588 0.0534 C.2 1 UNL1 -0.2267 31 C 6.8725 2.4206 0.7946 C.2 1 UNL1 -0.1463 32 C 8.1810 1.9202 0.4611 C.2 1 UNL1 0.4690 @BOND 1 9 14 1 2 9 17 2 3 14 15 3 4 2 15 1 5 2 3 2 6 2 13 1 7 17 4 2 8 1 30 1 9 10 22 1 10 10 21 am 11 6 25 2 12 30 28 2 13 30 32 1 14 28 27 1 15 22 23 3 16 25 24 1 17 25 11 am 18 24 26 3 19 13 16 1 20 13 12 1 21 26 27 1 22 27 29 1 23 16 18 3 24 18 19 1 25 32 7 2 26 32 31 1 27 19 20 3 28 20 21 1 29 21 5 2 30 23 11 1 31 29 31 2 32 12 8 3