HMDB0250383 RDKit 3D N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline 51 53 0 0 0 0 0 0 0 0999 V2000 7.1809 -0.4713 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8035 0.1665 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 0.3917 1.3978 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 0.6705 1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -0.4439 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -0.1978 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -0.2173 -1.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 0.0424 1.1832 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 0.2797 1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 1.7451 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 2.3177 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 2.9226 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 3.2973 -1.7758 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 2.9533 -2.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 2.3626 -1.4909 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -0.6176 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -1.4618 -0.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.6311 0.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 0.1823 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2454 -0.7652 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2803 -1.2563 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 -1.4694 -0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5504 -2.9064 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 -3.2954 0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 -3.8300 -1.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -0.6418 -0.8809 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8982 -0.6968 -1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 -1.5017 -1.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -0.1429 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 -0.1238 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1129 -1.5800 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 1.1317 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 1.6529 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 0.5990 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -1.3952 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 0.0512 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 0.0240 2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 2.3295 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 1.9268 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 3.0758 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 3.1229 -3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 1.9961 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3166 1.0947 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 0.3831 1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1517 -0.2473 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -1.5723 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -2.1888 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7011 -0.4506 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -1.1495 -1.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4506 -4.7067 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 -0.7586 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 9 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 5 26 1 0 26 27 1 0 27 28 2 0 27 2 1 0 15 11 1 0 22 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 25 50 1 0 26 51 1 0 M END