@MOLECULE n-[3-({3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzoyl]-d-glutamic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 OE1 -6.1012 -1.8089 -1.7967 O.2 1 GLU1111 -0.5415 2 CD -6.4240 -2.5889 -0.9355 C.2 1 GLU1111 0.6647 3 OE2 -6.2320 -3.9199 -1.1097 O.3 1 GLU1111 -0.5601 4 CG -7.0472 -2.3305 0.3999 C.3 1 GLU1111 -0.3370 5 CB -7.6131 -0.9136 0.4891 C.3 1 GLU1111 -0.2835 6 C -7.2081 1.4841 0.9816 C.2 1 GLU1111 0.5970 7 O -8.1005 1.5799 2.0025 O.3 1 GLU1111 -0.5746 8 OXT -7.0342 2.3895 0.2169 O.2 1 GLU1111 -0.4712 9 N -5.3787 0.1147 0.1784 N.am 1 GLU1111 -0.6010 10 C -4.1238 0.1638 0.7591 C.2 0 UNK0 0.5885 11 O -4.0098 0.1962 1.9692 O.2 0 UNK0 -0.5288 12 C -2.9684 0.1913 -0.1735 C.ar 0 UNK0 -0.1276 13 C -1.8948 1.0145 0.1667 C.ar 0 UNK0 -0.0978 14 C -2.9300 -0.5880 -1.3290 C.ar 0 UNK0 -0.1169 15 C -1.8128 -0.5302 -2.1594 C.ar 0 UNK0 -0.1574 16 C -0.7454 0.3072 -1.8408 C.ar 0 UNK0 -0.0998 17 C -0.7878 1.0785 -0.6779 C.ar 0 UNK0 -0.0435 18 C 0.3529 1.9890 -0.3398 C.3 0 UNK0 -0.0553 19 C 2.9251 3.1410 -0.0632 C.ar 0 UNK0 -0.2966 20 C 4.2331 3.6080 0.0643 C.ar 0 UNK0 -0.0676 21 C 5.3154 2.7891 -0.2404 C.ar 0 UNK0 -0.2218 22 C 2.7235 1.8330 -0.5042 C.ar 0 UNK0 0.2602 23 C 3.7997 0.9835 -0.8101 C.ar 0 UNK0 -0.2447 24 C 5.0907 1.4760 -0.6704 C.ar 0 UNK0 0.0215 25 C 6.2372 0.6214 -0.9905 C.2 0 UNK0 -0.0252 26 S 5.9897 -0.8434 1.3598 S.3 0 UNK0 0.1115 27 C 7.2301 -2.1724 1.5748 C.2 0 UNK0 0.5173 28 N 8.0822 -2.1756 0.4599 N.am 0 UNK0 -0.6493 29 CA -6.5687 0.0962 1.0120 C.3 1 GLU1 0.0349 30 C 7.8325 -1.2158 -0.5481 C.2 0 UNK0 0.5910 31 C 6.6712 -0.3651 -0.2027 C.2 0 UNK0 -0.2643 32 O 8.5187 -1.1564 -1.5348 O.2 0 UNK0 -0.4366 33 O 1.5202 1.2374 -0.6972 O.3 0 UNK0 -0.3284 34 O 7.3297 -2.9270 2.4953 O.2 0 UNK0 -0.4042 35 HE2 -5.8147 -4.1564 -1.9757 H 1 GLU1 0.3604 36 HG1 -7.8421 -3.0856 0.5973 H 1 GLU1 0.1859 37 HG2 -6.2883 -2.5116 1.1990 H 1 GLU1 0.1982 38 HB1 -8.0001 -0.5892 -0.5011 H 1 GLU1 0.1702 39 HB2 -8.4909 -0.8977 1.1712 H 1 GLU1 0.1708 40 HA -6.2869 -0.1468 2.0822 H 1 GLU1 0.2072 41 H -8.5410 2.4619 2.0687 H 1 GLU1 0.3589 42 H -5.5182 0.0642 -0.8252 H 1 GLU1 0.3445 43 H -1.9310 1.5931 1.0929 H 0 UNK0 0.1741 44 H -3.7635 -1.2427 -1.5885 H 0 UNK0 0.1660 45 H -1.7762 -1.1383 -3.0621 H 0 UNK0 0.1580 46 H 0.1270 0.3561 -2.4945 H 0 UNK0 0.1656 47 H 0.3170 2.9192 -0.9411 H 0 UNK0 0.1435 48 H 0.4014 2.2372 0.7375 H 0 UNK0 0.1455 49 H 2.0951 3.7956 0.1792 H 0 UNK0 0.1663 50 H 4.4066 4.6288 0.4070 H 0 UNK0 0.1523 51 H 3.6049 -0.0336 -1.1451 H 0 UNK0 0.1838 52 H 6.3311 3.1632 -0.1376 H 0 UNK0 0.1637 53 H 6.7389 0.8480 -1.9452 H 0 UNK0 0.1895 54 H 8.8469 -2.8374 0.3739 H 0 UNK0 0.3437 @BOND 1 2 1 2 2 2 4 1 3 3 2 1 4 3 35 1 5 4 5 1 6 4 36 1 7 4 37 1 8 5 29 1 9 5 38 1 10 5 39 1 11 6 7 1 12 6 8 2 13 6 29 1 14 7 41 1 15 9 10 am 16 9 29 1 17 9 42 1 18 10 11 2 19 10 12 1 20 12 13 ar 21 12 14 ar 22 13 17 ar 23 13 43 1 24 14 15 ar 25 14 44 1 26 15 16 ar 27 15 45 1 28 16 17 ar 29 16 46 1 30 17 18 1 31 18 33 1 32 18 47 1 33 18 48 1 34 19 22 ar 35 19 20 ar 36 19 49 1 37 20 21 ar 38 20 50 1 39 21 24 ar 40 21 52 1 41 22 23 ar 42 22 33 1 43 23 24 ar 44 23 51 1 45 24 25 1 46 25 31 2 47 25 53 1 48 26 27 1 49 26 31 1 50 27 28 am 51 27 34 2 52 28 30 am 53 28 54 1 54 29 40 1 55 30 32 2 56 30 31 1