@MOLECULE 2-{2-(2-amino-2-carboxyethoxy)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 58 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.9385 3.1941 0.6305 S.3 1 UNK1 0.0498 2 O -2.5807 1.1721 -0.6501 O.3 1 UNK1 -0.3946 3 O 4.5452 -0.4958 -2.2054 O.2 1 UNL1 -0.2806 4 O 4.0432 1.6305 -1.3718 O.2 1 UNL1 -0.4655 5 O -2.4851 1.6914 -2.8528 O.2 1 UNK1 -0.4703 6 O 1.9571 0.1704 -1.5062 O.2 1 UNK1 -0.7188 7 O -0.3429 -2.6686 -1.3926 O.3 1 UNK1 -0.2891 8 O 2.8561 -0.5003 1.1229 O.3 1 UNK1 -0.3822 9 O -3.6334 -2.5067 0.5270 O.co2 1 UNK1 -0.6810 10 O -1.8137 -1.2481 0.5804 O.co2 1 UNK1 -0.8072 11 N 1.4010 2.3262 -0.2341 N.3 1 UNK1 -0.2060 12 N -0.1779 0.1571 -0.8205 N.am 1 UNK1 -0.6328 13 N -5.3840 -0.5171 0.8488 N.3 1 UNK1 -0.6236 14 C 0.2352 2.4374 1.8796 C.3 1 UNK1 0.0215 15 C 1.4637 2.1523 1.0557 C.3 1 UNK1 0.1562 16 C 0.0819 2.6414 -0.8175 C.3 1 UNK1 -0.0846 17 C -0.4445 1.3692 -1.5658 C.3 1 UNK1 0.0031 18 C 0.5557 3.4474 2.9671 C.3 1 UNK1 -0.4673 19 C -0.3189 1.1486 2.4535 C.3 1 UNK1 -0.4752 20 C 4.2336 0.5425 -1.7857 C.1 1 UNL1 0.7457 21 C -1.9614 1.4448 -1.8021 C.2 1 UNK1 0.5765 22 C 1.0611 -0.4167 -0.8900 C.2 1 UNK1 0.6905 23 C 1.2416 -1.6291 -0.0904 C.ar 1 UNK1 -0.3645 24 C -3.9151 0.6471 -0.6794 C.3 1 UNK1 -0.0037 25 C -3.9681 -0.1556 0.6322 C.3 1 UNK1 -0.1211 26 C 0.4190 -2.7552 -0.2924 C.ar 1 UNK1 0.4165 27 C 2.1656 -1.6693 0.9630 C.ar 1 UNK1 0.3554 28 C 0.5069 -3.8738 0.5557 C.ar 1 UNK1 -0.3390 29 C 2.2907 -2.7780 1.7919 C.ar 1 UNK1 -0.3918 30 C 1.4368 -3.8683 1.5803 C.ar 1 UNK1 0.0238 31 C -3.0591 -1.4224 0.5505 C.2 1 UNK1 0.7035 32 C -1.4306 -3.5888 -1.5059 C.3 1 UNK1 -0.2092 33 C 3.9776 -0.5354 1.9951 C.3 1 UNK1 -0.1869 34 H 2.3876 1.8084 1.5487 H 1 UNK1 0.2082 35 H 0.1684 3.4901 -1.5422 H 1 UNK1 0.1875 36 H 2.1650 2.0244 -0.8945 H 1 UNK1 0.3918 37 H 0.0679 1.3317 -2.5771 H 1 UNK1 0.1979 38 H -1.2128 1.3188 3.0719 H 1 UNK1 0.1804 39 H 0.4086 0.6199 3.0824 H 1 UNK1 0.1634 40 H -0.6448 0.4099 1.6855 H 1 UNK1 0.2277 41 H -0.3448 3.7327 3.5359 H 1 UNK1 0.1798 42 H 1.2562 3.0344 3.7080 H 1 UNK1 0.1634 43 H 0.9943 4.3793 2.5868 H 1 UNK1 0.1605 44 H -1.0220 -0.3438 -0.2728 H 1 UNK1 0.4443 45 H -4.6133 1.5012 -0.6791 H 1 UNK1 0.1473 46 H -4.0733 0.0275 -1.5759 H 1 UNK1 0.1433 47 H -3.6020 0.4800 1.4732 H 1 UNK1 0.1545 48 H -0.1689 -4.7139 0.4247 H 1 UNK1 0.1839 49 H 3.0087 -2.8102 2.5986 H 1 UNK1 0.1631 50 H 1.5107 -4.7310 2.2463 H 1 UNK1 0.1474 51 H -5.6147 -1.3453 0.3035 H 1 UNK1 0.2661 52 H -5.5415 -0.7611 1.8163 H 1 UNK1 0.2463 53 H -1.0585 -4.5948 -1.7022 H 1 UNK1 0.1249 54 H -2.0722 -3.5464 -0.6054 H 1 UNK1 0.1996 55 H -1.9789 -3.1855 -2.3661 H 1 UNK1 0.1524 56 H 3.6502 -0.6546 3.0329 H 1 UNK1 0.1345 57 H 4.6733 -1.3322 1.7061 H 1 UNK1 0.1472 58 H 4.4428 0.4445 1.8376 H 1 UNK1 0.1369 @BOND 1 5 21 2 2 37 17 1 3 55 32 1 4 3 20 2 5 21 17 1 6 21 2 1 7 20 4 2 8 53 32 1 9 46 24 1 10 17 12 1 11 17 16 1 12 35 16 1 13 6 22 2 14 32 7 1 15 32 54 1 16 7 26 1 17 36 11 1 18 22 12 am 19 22 23 1 20 12 44 1 21 16 11 1 22 16 1 1 23 24 45 1 24 24 2 1 25 24 25 1 26 26 23 ar 27 26 28 ar 28 11 15 1 29 23 27 ar 30 51 13 1 31 48 28 1 32 9 31 ar 33 31 10 ar 34 31 25 1 35 28 30 ar 36 1 14 1 37 25 13 1 38 25 47 1 39 13 52 1 40 27 8 1 41 27 29 ar 42 15 34 1 43 15 14 1 44 8 33 1 45 30 29 ar 46 30 50 1 47 40 19 1 48 57 33 1 49 29 49 1 50 58 33 1 51 14 19 1 52 14 18 1 53 33 56 1 54 19 38 1 55 19 39 1 56 43 18 1 57 18 41 1 58 18 42 1