@MOLECULE (2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydro-3-quinolinyl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.5222 -0.4428 0.3298 C.3 1 UNL1111111111111 -0.1615 2 C 2.2216 0.6914 0.6067 C.2 1 UNL1111111111111 0.0235 3 C 3.2685 1.4387 1.0737 C.2 1 UNL1111111111111 -0.1492 4 C 5.8078 0.7368 0.9058 C.2 1 UNL1111111111111 -0.0907 5 C 4.4795 0.6858 0.7718 C.2 1 UNL1111111111111 -0.0837 6 C 3.9497 -0.5550 0.0849 C.2 1 UNL1111111111111 0.0542 7 C 0.7837 1.0367 0.6856 C.2 1 UNL1111111111111 0.5883 8 C -1.5366 0.3857 0.2706 C.3 1 UNL1111111111111 0.0352 9 C -4.2606 0.5858 -0.4648 C.ar 1 UNL1111111111111 0.1870 10 C -1.9651 1.5956 -0.5822 C.3 1 UNL1111111111111 -0.3030 11 C -3.4483 1.7386 -0.5122 C.ar 1 UNL1111111111111 -0.0748 12 C -2.2935 -0.8584 -0.2032 C.2 1 UNL1111111111111 0.5527 13 O -1.7813 -1.9527 -0.3001 O.2 1 UNL1111111111111 -0.5110 14 C -4.4088 -1.8732 -0.8694 C.3 1 UNL1111111111111 -0.1569 15 O -5.3196 -1.8063 1.3759 O.2 1 UNL1111111111111 -0.4965 16 C -5.0545 -2.4560 0.3905 C.2 1 UNL1111111111111 0.5634 17 N -5.3914 -3.7950 0.3271 N.am 1 UNL1111111111111 -0.6923 18 N -3.6292 -0.6790 -0.5580 N.am 1 UNL1111111111111 -0.4464 19 C -5.6494 0.7122 -0.3523 C.ar 1 UNL1111111111111 -0.2078 20 C -6.2253 1.9798 -0.3267 C.ar 1 UNL1111111111111 -0.1095 21 C -5.4295 3.1197 -0.4003 C.ar 1 UNL1111111111111 -0.1791 22 C -4.0436 2.9951 -0.4838 C.ar 1 UNL1111111111111 -0.1206 23 N -0.1019 0.1276 0.1654 N.am 1 UNL1111111111111 -0.5598 24 O 0.4133 2.0872 1.1798 O.2 1 UNL1111111111111 -0.5280 25 N 2.6502 -0.5467 -0.0050 N.2 1 UNL1111111111111 -0.3410 26 S 5.2418 -1.6311 -0.3573 S.3 1 UNL1111111111111 0.2003 27 CL 7.5612 0.1537 -0.9696 Cl 1 UNL1111111111111 -0.0848 28 H 7.1768 -0.9715 1.0539 H 1 UNL1111111111111 0.1901 29 H 3.2325 2.3932 1.5660 H 1 UNL1111111111111 0.1934 30 H 6.3821 1.5349 1.3661 H 1 UNL1111111111111 0.1875 31 H -1.8050 0.5812 1.3528 H 1 UNL1111111111111 0.1906 32 H -1.6300 1.4778 -1.6342 H 1 UNL1111111111111 0.1698 33 H -1.4438 2.5085 -0.2096 H 1 UNL1111111111111 0.1954 34 H -5.2027 -1.6322 -1.6163 H 1 UNL1111111111111 0.1729 35 H -3.7337 -2.6264 -1.3544 H 1 UNL1111111111111 0.1899 36 H -5.8057 -4.2359 1.1257 H 1 UNL1111111111111 0.3134 37 H -5.1170 -4.3928 -0.4186 H 1 UNL1111111111111 0.3028 38 H -6.2841 -0.1653 -0.2449 H 1 UNL1111111111111 0.1701 39 H -7.3067 2.0752 -0.2379 H 1 UNL1111111111111 0.1501 40 H -5.8855 4.1064 -0.3808 H 1 UNL1111111111111 0.1515 41 H -3.4211 3.8893 -0.5206 H 1 UNL1111111111111 0.1574 42 H 0.1999 -0.7698 -0.2137 H 1 UNL1111111111111 0.3570 @BOND 1 1 27 1 2 1 4 1 3 1 26 1 4 1 28 1 5 2 3 2 6 2 25 1 7 2 7 1 8 3 5 1 9 3 29 1 10 4 5 2 11 4 30 1 12 5 6 1 13 6 26 1 14 6 25 2 15 7 23 am 16 7 24 2 17 8 23 1 18 8 12 1 19 8 10 1 20 8 31 1 21 9 18 1 22 9 11 ar 23 9 19 ar 24 10 11 1 25 10 32 1 26 10 33 1 27 11 22 ar 28 12 13 2 29 12 18 am 30 14 16 1 31 14 18 1 32 14 34 1 33 14 35 1 34 15 16 2 35 16 17 am 36 17 36 1 37 17 37 1 38 19 20 ar 39 19 38 1 40 20 21 ar 41 20 39 1 42 21 22 ar 43 21 40 1 44 22 41 1 45 23 42 1