@MOLECULE (2s)-2-methyl-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3366 0.9243 1.3721 S.3 1 UNL1111111111 -0.0045 2 O 5.1746 -1.6846 0.2900 O.2 1 UNL1111111111 -0.5117 3 O -4.5599 -0.8658 1.6351 O.3 1 UNL1111111111 -0.5701 4 O -4.6082 -1.7623 -0.4014 O.2 1 UNL1111111111 -0.5076 5 N 3.0303 -1.3960 -0.5398 N.am 1 UNL1111111111 -0.6440 6 N 4.3998 0.4180 -0.3592 N.am 1 UNL1111111111 -0.6072 7 C 2.1545 -0.2801 -0.9050 C.3 1 UNL1111111111 0.0572 8 C 3.0837 0.9933 -0.6997 C.3 1 UNL1111111111 0.0566 9 C 0.8984 -0.2021 -0.0189 C.3 1 UNL1111111111 -0.1959 10 C 2.5181 1.9112 0.3833 C.3 1 UNL1111111111 -0.3847 11 C -0.3000 0.2913 -0.8271 C.3 1 UNL1111111111 -0.2805 12 C -1.6016 0.2697 -0.0167 C.3 1 UNL1111111111 -0.2706 13 C 4.2921 -0.9737 -0.1262 C.2 1 UNL1111111111 0.7117 14 C -2.7939 0.6030 -0.9224 C.3 1 UNL1111111111 -0.2768 15 C -4.1090 0.6228 -0.1282 C.3 1 UNL1111111111 -0.1581 16 C -5.2630 1.1517 -0.9799 C.3 1 UNL1111111111 -0.4445 17 C -4.4449 -0.7879 0.2823 C.2 1 UNL1111111111 0.6344 18 H 1.8751 -0.3736 -1.9846 H 1 UNL1111111111 0.1528 19 H 3.1958 1.5452 -1.6666 H 1 UNL1111111111 0.1572 20 H 0.6658 -1.1962 0.4312 H 1 UNL1111111111 0.1757 21 H 3.2994 2.3166 1.0506 H 1 UNL1111111111 0.1755 22 H 2.0069 2.7860 -0.0555 H 1 UNL1111111111 0.1667 23 H -0.1219 1.3110 -1.2219 H 1 UNL1111111111 0.1454 24 H -0.4244 -0.3544 -1.7239 H 1 UNL1111111111 0.1487 25 H 2.7051 -2.3371 -0.4731 H 1 UNL1111111111 0.3405 26 H 5.0234 0.9560 0.2210 H 1 UNL1111111111 0.3204 27 H -1.5520 0.9933 0.8209 H 1 UNL1111111111 0.1563 28 H -1.7454 -0.7229 0.4530 H 1 UNL1111111111 0.1476 29 H -2.6396 1.5882 -1.4030 H 1 UNL1111111111 0.1471 30 H -2.8653 -0.1303 -1.7519 H 1 UNL1111111111 0.1579 31 H -3.9892 1.2673 0.7818 H 1 UNL1111111111 0.1768 32 H -6.2023 1.1851 -0.4132 H 1 UNL1111111111 0.1561 33 H -5.0612 2.1693 -1.3348 H 1 UNL1111111111 0.1542 34 H -5.4361 0.5218 -1.8640 H 1 UNL1111111111 0.1638 35 H -4.7884 -1.7667 1.9681 H 1 UNL1111111111 0.3539 @BOND 1 1 9 1 2 1 10 1 3 2 13 2 4 3 17 1 5 3 35 1 6 4 17 2 7 5 7 1 8 5 13 am 9 5 25 1 10 6 8 1 11 6 13 am 12 6 26 1 13 7 8 1 14 7 9 1 15 7 18 1 16 8 10 1 17 8 19 1 18 9 11 1 19 9 20 1 20 10 21 1 21 10 22 1 22 11 12 1 23 11 23 1 24 11 24 1 25 12 14 1 26 12 27 1 27 12 28 1 28 14 15 1 29 14 29 1 30 14 30 1 31 15 16 1 32 15 17 1 33 15 31 1 34 16 32 1 35 16 33 1 36 16 34 1