@MOLECULE (2r,4s)-2-{(1r)-1-[(2-ethoxy-1-naphthoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.3738 2.5443 -0.9147 C.2 1 UNL111111111 0.3213 2 N 0.3766 0.8916 -0.4054 N.am 1 UNL111111111 -0.5836 3 O -0.7227 3.3687 -0.3294 O.2 1 UNL111111111 -0.4144 4 CA -0.9063 1.0962 -1.0625 C.3 1 UNL111111111 -0.0578 5 C -1.9378 0.1174 -0.4596 C.3 1 UNL111111111 0.0253 6 C 2.3570 4.5194 -0.0155 C.3 1 UNL111111111 -0.4681 7 C -5.1682 1.4828 0.7917 C.3 1 UNL111111111 -0.4660 8 C -4.8043 -0.6728 2.0044 C.3 1 UNL111111111 -0.4764 9 OXT -5.3113 -2.5855 -0.5341 O.3 1 UNL111111111 -0.5801 10 O 1.0841 -0.4277 -2.0910 O.2 1 UNL111111111 -0.5309 11 O -3.1435 -2.6477 -0.0154 O.2 1 UNL111111111 -0.4669 12 C 4.2212 -3.9047 0.3916 C.ar 1 UNL111111111 -0.1713 13 C 2.9811 -3.7640 -0.2805 C.ar 1 UNL111111111 -0.1172 14 C 4.5827 0.9196 0.8001 C.ar 1 UNL111111111 -0.2962 15 C 4.9048 -2.7926 0.8075 C.ar 1 UNL111111111 -0.1289 16 C 2.4538 -2.5221 -0.5194 C.ar 1 UNL111111111 -0.1612 17 C 5.0873 -0.3377 1.0034 C.ar 1 UNL111111111 -0.0480 18 C 3.3528 3.4436 0.3853 C.3 1 UNL111111111 -0.0114 19 N -3.1215 -0.0448 -1.3009 N.3 1 UNL111111111 -0.5336 20 O 2.7283 2.2430 -0.0931 O.3 1 UNL111111111 -0.3461 21 S -2.5361 0.7229 1.2162 S.3 1 UNL111111111 -0.1494 22 C -4.1045 -1.9968 -0.3097 C.2 1 UNL111111111 0.6356 23 C 1.3445 0.1217 -1.0387 C.2 1 UNL111111111 0.6258 24 C 3.3324 1.0585 0.1464 C.ar 1 UNL111111111 0.2928 25 C 2.6204 -0.0415 -0.3067 C.ar 1 UNL111111111 -0.2749 26 C 4.3791 -1.4923 0.5732 C.ar 1 UNL111111111 -0.0890 27 C 3.1405 -1.3484 -0.0955 C.ar 1 UNL111111111 0.1040 28 CA -4.2643 -0.4929 -0.4906 C.3 1 UNL111111111 -0.0511 29 C -4.3066 0.2309 0.8913 C.3 1 UNL111111111 0.0479 30 H -2.3271 2.8041 -1.3882 H 1 UNL111111111 0.1084 31 H 0.6151 1.5188 0.3536 H 1 UNL111111111 0.3385 32 HA -0.8021 0.8557 -2.1704 H 1 UNL111111111 0.2107 33 H -1.4631 -0.8958 -0.3103 H 1 UNL111111111 0.2141 34 H 2.2415 4.5764 -1.1061 H 1 UNL111111111 0.1638 35 H 1.3525 4.3072 0.3873 H 1 UNL111111111 0.1822 36 H 2.6625 5.5051 0.3487 H 1 UNL111111111 0.1539 37 H -5.1279 2.0848 1.7118 H 1 UNL111111111 0.1679 38 H -4.8723 2.1451 -0.0301 H 1 UNL111111111 0.1505 39 H -6.2262 1.2263 0.6397 H 1 UNL111111111 0.1560 40 H -5.7853 -1.1065 1.7602 H 1 UNL111111111 0.1623 41 H -4.1246 -1.5131 2.2176 H 1 UNL111111111 0.1755 42 H -4.9265 -0.1302 2.9528 H 1 UNL111111111 0.1662 43 HXT -5.2956 -3.5705 -0.4668 H 1 UNL111111111 0.3583 44 H 4.6153 -4.9025 0.5675 H 1 UNL111111111 0.1481 45 H 2.4552 -4.6612 -0.6054 H 1 UNL111111111 0.1520 46 H 5.1295 1.7964 1.1309 H 1 UNL111111111 0.1671 47 H 5.8585 -2.8850 1.3233 H 1 UNL111111111 0.1455 48 H 1.5026 -2.4188 -1.0498 H 1 UNL111111111 0.1873 49 H 6.0478 -0.4719 1.5042 H 1 UNL111111111 0.1516 50 H 4.3290 3.5625 -0.1154 H 1 UNL111111111 0.1280 51 H 3.4808 3.3750 1.4794 H 1 UNL111111111 0.1270 52 H -3.3523 0.7735 -1.8600 H 1 UNL111111111 0.2706 53 HA -5.2185 -0.3021 -1.0556 H 1 UNL111111111 0.1845 @BOND 1 1 30 1 2 2 4 1 3 2 31 1 4 3 1 2 5 4 1 1 6 4 5 1 7 4 32 1 8 5 19 1 9 5 33 1 10 6 34 1 11 6 35 1 12 6 36 1 13 7 29 1 14 7 37 1 15 7 38 1 16 7 39 1 17 8 40 1 18 8 41 1 19 8 42 1 20 9 43 1 21 11 22 2 22 12 13 ar 23 12 44 1 24 13 16 ar 25 13 45 1 26 14 24 ar 27 14 46 1 28 15 12 ar 29 15 26 ar 30 15 47 1 31 16 48 1 32 17 14 ar 33 17 26 ar 34 17 49 1 35 18 6 1 36 18 20 1 37 18 50 1 38 18 51 1 39 19 52 1 40 21 5 1 41 22 9 1 42 23 2 am 43 23 10 2 44 24 20 1 45 24 25 ar 46 25 23 1 47 26 27 ar 48 27 16 ar 49 27 25 ar 50 28 19 1 51 28 22 1 52 28 53 1 53 29 8 1 54 29 21 1 55 29 28 1