@MOLECULE (2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.3239 -2.6482 -1.0309 C.2 1 UNL111111111 0.3184 2 N -0.4468 -1.1446 -0.2535 N.am 1 UNL111111111 -0.5936 3 CA 0.7933 -1.2099 -1.0124 C.3 1 UNL111111111 -0.0620 4 C 1.8139 -0.2309 -0.4054 C.3 1 UNL111111111 0.0222 5 C -2.9971 -3.7053 0.1956 C.3 1 UNL111111111 -0.4712 6 C 5.2658 -1.4152 0.3807 C.3 1 UNL111111111 -0.4665 7 C 4.8384 0.5600 1.8508 C.3 1 UNL111111111 -0.4773 8 O 2.8126 2.5626 0.1969 O.2 1 UNL111111111 -0.4706 9 O -1.6543 -0.5780 -2.0852 O.2 1 UNL111111111 -0.4882 10 OXT 4.9337 2.7531 -0.4669 O.3 1 UNL111111111 -0.5763 11 C -3.3678 4.1074 -0.1308 C.ar 1 UNL111111111 -0.1269 12 C -2.2251 3.3294 0.0516 C.ar 1 UNL111111111 -0.1497 13 C -4.6283 3.5123 -0.1214 C.ar 1 UNL111111111 -0.1601 14 C -2.3397 1.9550 0.2392 C.ar 1 UNL111111111 -0.1130 15 C -4.7498 2.1372 0.0617 C.ar 1 UNL111111111 -0.1081 16 N -4.7162 -0.6757 1.0820 N.ar 1 UNL111111111 -0.2477 17 N 2.8879 0.1117 -1.3344 N.3 1 UNL111111111 -0.5301 18 O -4.5224 -2.0412 1.0504 O.2 1 UNL111111111 0.0360 19 S 2.6324 -0.9625 1.1218 S.3 1 UNL111111111 -0.1625 20 C 3.8011 2.0383 -0.2312 C.2 1 UNL111111111 0.6361 21 C -1.6484 -0.9168 -0.9230 C.2 1 UNL111111111 0.6298 22 C -3.3715 -2.3016 0.3413 C.ar 1 UNL111111111 0.1729 23 C -3.6034 1.3559 0.2371 C.ar 1 UNL111111111 -0.0361 24 C -3.7280 -0.0834 0.4121 C.ar 1 UNL111111111 0.1522 25 C -2.8300 -1.1108 -0.0856 C.ar 1 UNL111111111 -0.3448 26 CA 4.0670 0.5821 -0.5908 C.3 1 UNL111111111 -0.0534 27 C 4.3132 -0.2699 0.6943 C.3 1 UNL111111111 0.0520 28 O 0.7003 -3.5445 -0.5265 O.2 1 UNL111111111 -0.4135 29 H 2.2739 -2.8257 -1.5432 H 1 UNL111111111 0.1092 30 H -0.4396 -1.5559 0.6711 H 1 UNL111111111 0.3266 31 HA 0.5859 -0.8891 -2.0860 H 1 UNL111111111 0.2178 32 H 1.2959 0.7226 -0.0927 H 1 UNL111111111 0.2131 33 H -3.3709 -4.3391 1.0173 H 1 UNL111111111 0.1826 34 H -3.3930 -4.1339 -0.7451 H 1 UNL111111111 0.1905 35 H -1.8971 -3.8405 0.1541 H 1 UNL111111111 0.1985 36 H 4.9522 -2.0138 -0.4826 H 1 UNL111111111 0.1517 37 H 6.2786 -1.0430 0.1683 H 1 UNL111111111 0.1586 38 H 5.3682 -2.1114 1.2270 H 1 UNL111111111 0.1696 39 H 5.1009 -0.0609 2.7201 H 1 UNL111111111 0.1685 40 H 5.7504 1.1081 1.5690 H 1 UNL111111111 0.1650 41 H 4.1146 1.3059 2.2154 H 1 UNL111111111 0.1748 42 HXT 4.8435 3.7206 -0.2864 H 1 UNL111111111 0.3599 43 H -3.2753 5.1812 -0.2814 H 1 UNL111111111 0.1471 44 H -1.2396 3.7935 0.0449 H 1 UNL111111111 0.1581 45 H -5.5196 4.1209 -0.2590 H 1 UNL111111111 0.1513 46 H -1.4438 1.3510 0.3859 H 1 UNL111111111 0.1630 47 H -5.7341 1.6670 0.0687 H 1 UNL111111111 0.1661 48 H 3.1250 -0.6291 -1.9912 H 1 UNL111111111 0.2729 49 HA 4.9711 0.5394 -1.2600 H 1 UNL111111111 0.1870 @BOND 1 1 28 2 2 1 29 1 3 2 3 1 4 2 30 1 5 3 1 1 6 3 4 1 7 3 31 1 8 4 19 1 9 4 17 1 10 4 32 1 11 5 22 1 12 5 33 1 13 5 34 1 14 5 35 1 15 6 36 1 16 6 37 1 17 6 38 1 18 7 39 1 19 7 40 1 20 7 41 1 21 9 21 2 22 10 42 1 23 11 12 ar 24 11 43 1 25 12 44 1 26 13 11 ar 27 13 45 1 28 14 12 ar 29 14 46 1 30 15 23 ar 31 15 13 ar 32 15 47 1 33 16 24 ar 34 17 26 1 35 17 48 1 36 18 22 ar 37 18 16 ar 38 19 27 1 39 20 8 2 40 20 10 1 41 21 2 am 42 22 25 ar 43 23 14 ar 44 24 23 1 45 25 21 1 46 25 24 ar 47 26 20 1 48 26 49 1 49 27 26 1 50 27 6 1 51 27 7 1