@MOLECULE n-(6-amino-2-pyridinyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.1376 1.8271 0.1731 S.3 1 UNL111111111 -0.0062 2 O -4.9904 -2.7007 1.7081 O.2 1 UNL111111111 -0.5103 3 O 2.6754 1.0811 1.1814 O.2 1 UNL111111111 -0.4833 4 N -3.7931 -1.3159 0.2878 N.am 1 UNL111111111 -0.6355 5 N -6.0170 -1.6359 -0.0990 N.am 1 UNL111111111 -0.6096 6 N 3.6816 -0.0957 -0.4995 N.am 1 UNL111111111 -0.5816 7 N 5.8605 -0.7007 -0.8603 N.ar 1 UNL111111111 -0.5886 8 N 7.9981 -1.3679 -1.4272 N.pl3 1 UNL111111111 -0.6184 9 C -4.0667 -0.4315 -0.8460 C.3 1 UNL111111111 0.0558 10 C -5.6410 -0.5578 -1.0326 C.3 1 UNL111111111 0.0554 11 C -3.6774 1.0451 -0.6456 C.3 1 UNL111111111 -0.2056 12 C -6.3291 0.7787 -0.7448 C.3 1 UNL111111111 -0.3830 13 C -2.3995 1.2889 0.1510 C.3 1 UNL111111111 -0.2766 14 C -1.1967 0.6889 -0.5930 C.3 1 UNL111111111 -0.2777 15 C -4.9401 -1.9507 0.7632 C.2 1 UNL111111111 0.7104 16 C 0.1116 0.9101 0.1742 C.3 1 UNL111111111 -0.2415 17 C 1.2679 0.2432 -0.5826 C.3 1 UNL111111111 -0.3617 18 C 2.5743 0.4719 0.1455 C.2 1 UNL111111111 0.5974 19 C 5.0103 -0.0224 -0.0403 C.ar 1 UNL111111111 0.4501 20 C 5.4365 0.6497 1.1161 C.ar 1 UNL111111111 -0.3772 21 C 6.7941 0.6173 1.4287 C.ar 1 UNL111111111 0.0285 22 C 7.1825 -0.7062 -0.5361 C.ar 1 UNL111111111 0.4571 23 C 7.6930 -0.0560 0.6141 C.ar 1 UNL111111111 -0.4083 24 H -3.5444 -0.8373 -1.7492 H 1 UNL111111111 0.1483 25 H -5.8758 -0.9087 -2.0680 H 1 UNL111111111 0.1574 26 H -3.5683 1.5169 -1.6528 H 1 UNL111111111 0.1593 27 H -7.2490 0.6644 -0.1455 H 1 UNL111111111 0.1759 28 H -6.6356 1.2834 -1.6792 H 1 UNL111111111 0.1682 29 H -2.2387 2.3810 0.2872 H 1 UNL111111111 0.1591 30 H -2.4670 0.8818 1.1799 H 1 UNL111111111 0.1597 31 H -2.9275 -1.2925 0.7844 H 1 UNL111111111 0.3398 32 H -6.9525 -1.6469 0.2772 H 1 UNL111111111 0.3217 33 H -1.1222 1.1438 -1.5997 H 1 UNL111111111 0.1387 34 H -1.3534 -0.3948 -0.7561 H 1 UNL111111111 0.1396 35 H 0.0437 0.5050 1.2021 H 1 UNL111111111 0.1589 36 H 0.3137 1.9929 0.3046 H 1 UNL111111111 0.1566 37 H 1.0787 -0.8455 -0.6877 H 1 UNL111111111 0.1705 38 H 1.3290 0.6447 -1.6144 H 1 UNL111111111 0.1670 39 H 3.5516 -0.6179 -1.3680 H 1 UNL111111111 0.3297 40 H 4.7319 1.1804 1.7534 H 1 UNL111111111 0.2088 41 H 7.1520 1.1325 2.3231 H 1 UNL111111111 0.1548 42 H 8.7492 -0.0846 0.8416 H 1 UNL111111111 0.1718 43 H 8.9496 -1.5491 -1.2072 H 1 UNL111111111 0.3082 44 H 7.5933 -1.8440 -2.2084 H 1 UNL111111111 0.3162 @BOND 1 1 11 1 2 1 12 1 3 2 15 2 4 3 18 2 5 4 9 1 6 4 15 am 7 4 31 1 8 5 10 1 9 5 15 am 10 5 32 1 11 6 18 am 12 6 19 1 13 6 39 1 14 7 19 ar 15 7 22 ar 16 8 22 1 17 8 43 1 18 8 44 1 19 9 10 1 20 9 11 1 21 9 24 1 22 10 12 1 23 10 25 1 24 11 13 1 25 11 26 1 26 12 27 1 27 12 28 1 28 13 14 1 29 13 29 1 30 13 30 1 31 14 16 1 32 14 33 1 33 14 34 1 34 16 17 1 35 16 35 1 36 16 36 1 37 17 18 1 38 17 37 1 39 17 38 1 40 19 20 ar 41 20 21 ar 42 20 40 1 43 21 23 ar 44 21 41 1 45 22 23 ar 46 23 42 1