@MOLECULE (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylcarbamimidothioate 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.6158 -1.0654 -0.5252 C.3 1 UNL1111111111 -0.4680 2 N 3.8615 -0.5002 1.1068 N.2 1 UNL1111111111 -0.4762 3 S 1.5704 -1.6752 2.3325 S.2 1 UNL1111111111 0.2298 4 C 4.3022 -0.3169 -0.3097 C.3 1 UNL1111111111 0.2477 5 N 2.2603 -1.5241 -0.1751 N.ar 1 UNL1111111111 -0.4672 6 S -0.2833 -0.7937 -2.3003 S.3 1 UNL1111111111 -0.0876 7 C 4.4519 1.1744 -0.5949 C.3 1 UNL1111111111 -0.4757 8 N -2.6196 -0.7975 -0.9844 N.pl3 1 UNL1111111111 -0.5571 9 C 2.7435 -1.1430 1.1168 C.ar 1 UNL1111111111 0.2409 10 N -1.1943 0.9236 -0.2832 N.2 1 UNL1111111111 -0.4988 11 C 0.4536 -2.1895 1.0628 C.ar 1 UNL1111111111 -0.4338 12 C 3.1381 -0.9526 -1.2020 C.3 1 UNL1111111111 -0.1367 13 C 0.9565 -2.0096 -0.1899 C.ar 1 UNL1111111111 0.2225 14 C 0.2783 -2.3283 -1.4651 C.3 1 UNL1111111111 -0.3286 15 C -1.4319 -0.0694 -1.0448 C.2 1 UNL1111111111 0.3365 16 C -3.6642 -0.3554 -0.0306 C.3 1 UNL1111111111 0.0960 17 C -4.6166 -1.5480 0.1947 C.3 1 UNL1111111111 -0.2958 18 C -5.7143 -1.1455 1.1859 C.3 1 UNL1111111111 -0.2600 19 C -6.4899 0.0746 0.6715 C.3 1 UNL1111111111 -0.2689 20 C -5.5398 1.2545 0.4278 C.3 1 UNL1111111111 -0.2556 21 C -4.4397 0.8675 -0.5647 C.3 1 UNL1111111111 -0.3167 22 C 0.0811 1.5987 -0.1142 C.3 1 UNL1111111111 0.0855 23 C 0.1105 2.8656 -1.0003 C.3 1 UNL1111111111 -0.2868 24 C 1.4215 3.6231 -0.7670 C.3 1 UNL1111111111 -0.2606 25 C 1.6007 3.9781 0.7159 C.3 1 UNL1111111111 -0.2642 26 C 1.5138 2.7294 1.6033 C.3 1 UNL1111111111 -0.2711 27 C 0.1877 2.0010 1.3749 C.3 1 UNL1111111111 -0.2752 28 H 5.5044 -2.1395 -0.3311 H 1 UNL1111111111 0.1563 29 H 5.9959 -0.9345 -1.5422 H 1 UNL1111111111 0.1477 30 H 6.3835 -0.7020 0.1736 H 1 UNL1111111111 0.1692 31 H 4.7802 1.3605 -1.6216 H 1 UNL1111111111 0.1506 32 H 3.5091 1.7142 -0.4280 H 1 UNL1111111111 0.1610 33 H 5.1892 1.6243 0.0858 H 1 UNL1111111111 0.1709 34 H -2.9890 -1.1423 -1.8672 H 1 UNL1111111111 0.3034 35 H -0.5120 -2.5815 1.3192 H 1 UNL1111111111 0.1992 36 H 2.6310 -0.1856 -1.8148 H 1 UNL1111111111 0.1573 37 H 3.5187 -1.7446 -1.8714 H 1 UNL1111111111 0.1537 38 H -0.5886 -3.0054 -1.2975 H 1 UNL1111111111 0.1928 39 H 0.9510 -2.8573 -2.1746 H 1 UNL1111111111 0.1877 40 H -3.1612 -0.0829 0.9362 H 1 UNL1111111111 0.1657 41 H -5.0663 -1.8738 -0.7599 H 1 UNL1111111111 0.1362 42 H -4.0473 -2.4148 0.5795 H 1 UNL1111111111 0.1462 43 H -6.4043 -1.9930 1.3498 H 1 UNL1111111111 0.1298 44 H -5.2686 -0.9204 2.1735 H 1 UNL1111111111 0.1397 45 H -7.0206 -0.1816 -0.2637 H 1 UNL1111111111 0.1347 46 H -7.2721 0.3606 1.3976 H 1 UNL1111111111 0.1296 47 H -6.1035 2.1255 0.0470 H 1 UNL1111111111 0.1317 48 H -5.0864 1.5802 1.3838 H 1 UNL1111111111 0.1417 49 H -3.7382 1.7140 -0.7065 H 1 UNL1111111111 0.1595 50 H -4.8732 0.6522 -1.5557 H 1 UNL1111111111 0.1341 51 H 0.9560 0.9469 -0.3728 H 1 UNL1111111111 0.1281 52 H 0.0040 2.5933 -2.0646 H 1 UNL1111111111 0.1375 53 H -0.7580 3.5071 -0.7588 H 1 UNL1111111111 0.1531 54 H 2.2770 3.0153 -1.1179 H 1 UNL1111111111 0.1318 55 H 1.4354 4.5444 -1.3782 H 1 UNL1111111111 0.1305 56 H 2.5713 4.4830 0.8685 H 1 UNL1111111111 0.1274 57 H 0.8251 4.7054 1.0206 H 1 UNL1111111111 0.1348 58 H 2.3650 2.0499 1.3998 H 1 UNL1111111111 0.1468 59 H 1.6129 3.0101 2.6677 H 1 UNL1111111111 0.1361 60 H -0.6690 2.6420 1.6529 H 1 UNL1111111111 0.1521 61 H 0.1118 1.1061 2.0178 H 1 UNL1111111111 0.1491 @BOND 1 1 4 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 4 1 6 2 9 2 7 3 11 ar 8 4 12 1 9 5 13 ar 10 6 15 1 11 7 4 1 12 7 31 1 13 7 32 1 14 7 33 1 15 8 16 1 16 8 34 1 17 9 3 ar 18 9 5 ar 19 10 15 2 20 11 35 1 21 12 5 1 22 12 36 1 23 12 37 1 24 13 11 ar 25 13 14 1 26 14 6 1 27 14 38 1 28 14 39 1 29 15 8 1 30 16 17 1 31 16 40 1 32 17 18 1 33 17 41 1 34 17 42 1 35 18 43 1 36 18 44 1 37 19 18 1 38 19 45 1 39 19 46 1 40 20 19 1 41 20 47 1 42 20 48 1 43 21 16 1 44 21 20 1 45 21 49 1 46 21 50 1 47 22 10 1 48 22 51 1 49 23 22 1 50 23 52 1 51 23 53 1 52 24 23 1 53 24 54 1 54 24 55 1 55 25 24 1 56 25 26 1 57 25 56 1 58 25 57 1 59 26 27 1 60 26 58 1 61 26 59 1 62 27 22 1 63 27 60 1 64 27 61 1