@MOLECULE (2s)-n-[(2s)-1-[(4s)-4-carbamoyl-1,3-thiazolidin-3-yl]-3-(1h-imidazol-5-yl)-1-oxo-2-propanyl]-6-oxo-2-piperidinecarboxamide 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.6823 -3.9327 0.8253 S.3 1 UNL111111111 0.0003 2 O 2.0131 0.2524 2.1751 O.2 1 UNL111111111 -0.4876 3 O -1.7853 0.6086 -0.9078 O.2 1 UNL111111111 -0.5320 4 O -6.0441 1.8784 -0.7984 O.2 1 UNL111111111 -0.5283 5 O 2.6862 -0.8586 -1.5755 O.2 1 UNL111111111 -0.5119 6 N 1.3309 -1.3255 0.7364 N.am 1 UNL111111111 -0.4937 7 N -0.7878 1.0163 1.0705 N.am 1 UNL111111111 -0.6062 8 N -4.2524 1.5008 0.4616 N.am 1 UNL111111111 -0.6083 9 N 2.8549 2.3262 -1.1694 N.ar 1 UNL111111111 -0.3542 10 N 1.1604 -1.7503 -2.9618 N.am 1 UNL111111111 -0.6778 11 N 4.7312 2.9665 -0.1103 N.ar 1 UNL111111111 -0.3747 12 C -3.2332 0.6560 1.0570 C.3 1 UNL111111111 0.0334 13 C 0.5395 1.0611 0.4568 C.3 1 UNL111111111 0.0137 14 C 0.7112 -1.7713 -0.5115 C.3 1 UNL111111111 0.0016 15 C -3.6025 -0.8414 1.0238 C.3 1 UNL111111111 -0.2894 16 C -4.1511 -1.2010 -0.3584 C.3 1 UNL111111111 -0.2599 17 C 1.3898 -0.0078 1.1694 C.2 1 UNL111111111 0.5474 18 C 0.4778 -3.2847 -0.4070 C.3 1 UNL111111111 -0.3517 19 C 2.3152 -2.2598 1.2883 C.3 1 UNL111111111 -0.1051 20 C 1.1469 2.4597 0.6920 C.3 1 UNL111111111 -0.2757 21 C -1.8994 0.7800 0.2896 C.2 1 UNL111111111 0.5438 22 C -5.4520 -0.4348 -0.5912 C.3 1 UNL111111111 -0.3511 23 C -5.2832 1.0444 -0.3521 C.2 1 UNL111111111 0.6073 24 C 1.6277 -1.4338 -1.7057 C.2 1 UNL111111111 0.5375 25 C 2.5140 2.5687 0.1651 C.ar 1 UNL111111111 -0.0249 26 C 3.6909 2.9637 0.8035 C.ar 1 UNL111111111 -0.0542 27 C 4.2241 2.5641 -1.2869 C.ar 1 UNL111111111 0.0918 28 H 0.4668 0.8635 -0.6459 H 1 UNL111111111 0.1787 29 H -3.1033 0.9888 2.1243 H 1 UNL111111111 0.1494 30 H -0.2750 -1.2368 -0.6509 H 1 UNL111111111 0.1893 31 H -2.7233 -1.4658 1.2729 H 1 UNL111111111 0.1528 32 H -4.3560 -1.0584 1.8057 H 1 UNL111111111 0.1575 33 H -3.4113 -0.9396 -1.1493 H 1 UNL111111111 0.1750 34 H -4.3091 -2.2887 -0.4515 H 1 UNL111111111 0.1414 35 H 0.6274 -3.8092 -1.3666 H 1 UNL111111111 0.1699 36 H -0.5465 -3.5121 -0.0616 H 1 UNL111111111 0.1690 37 H 2.3728 -2.1412 2.3952 H 1 UNL111111111 0.1858 38 H 3.3327 -2.0958 0.8574 H 1 UNL111111111 0.1771 39 H 0.4820 3.2264 0.2312 H 1 UNL111111111 0.1719 40 H 1.1550 2.6821 1.7866 H 1 UNL111111111 0.1828 41 H -0.8208 1.1728 2.0677 H 1 UNL111111111 0.3274 42 H -6.2616 -0.8111 0.0715 H 1 UNL111111111 0.1730 43 H -5.8271 -0.5874 -1.6237 H 1 UNL111111111 0.1786 44 H -4.1212 2.5043 0.5354 H 1 UNL111111111 0.3245 45 H 2.2562 1.9181 -1.8476 H 1 UNL111111111 0.3132 46 H 3.8510 3.2218 1.8317 H 1 UNL111111111 0.1805 47 H 1.7218 -1.5374 -3.7676 H 1 UNL111111111 0.3198 48 H 0.2861 -2.1962 -3.1244 H 1 UNL111111111 0.3063 49 H 4.7740 2.4339 -2.2025 H 1 UNL111111111 0.1860 @BOND 1 1 18 1 2 1 19 1 3 2 17 2 4 3 21 2 5 4 23 2 6 5 24 2 7 6 14 1 8 6 17 am 9 6 19 1 10 7 13 1 11 7 21 am 12 7 41 1 13 8 12 1 14 8 23 am 15 8 44 1 16 9 25 ar 17 9 27 ar 18 9 45 1 19 10 24 am 20 10 47 1 21 10 48 1 22 11 26 ar 23 11 27 ar 24 12 15 1 25 12 21 1 26 12 29 1 27 13 17 1 28 13 20 1 29 13 28 1 30 14 18 1 31 14 24 1 32 14 30 1 33 15 16 1 34 15 31 1 35 15 32 1 36 16 22 1 37 16 33 1 38 16 34 1 39 18 35 1 40 18 36 1 41 19 37 1 42 19 38 1 43 20 25 1 44 20 39 1 45 20 40 1 46 22 23 1 47 22 42 1 48 22 43 1 49 25 26 ar 50 26 46 1 51 27 49 1