@MOLECULE n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethyl}-n~2~-methyl-l-alaninamide 72 76 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0281 -1.1829 -0.7193 O.2 1 UNL1111111111 -0.5328 2 C 1.4499 -0.6846 0.3062 C.2 1 UNL1111111111 0.5509 3 C 2.8619 -0.0869 0.3874 C.3 1 UNL1111111111 -0.0176 4 C 2.7842 1.4204 0.0233 C.3 1 UNL1111111111 -0.1083 5 C 4.1612 2.0731 0.2271 C.3 1 UNL1111111111 -0.2712 6 C 4.0778 3.5774 -0.0597 C.3 1 UNL1111111111 -0.2613 7 C 3.5642 3.8300 -1.4840 C.3 1 UNL1111111111 -0.2688 8 C 2.2012 3.1566 -1.6932 C.3 1 UNL1111111111 -0.2570 9 C 2.3002 1.6512 -1.4158 C.3 1 UNL1111111111 -0.2706 10 N 3.6982 -0.8534 -0.5332 N.am 1 UNL1111111111 -0.5911 11 C 4.9197 -1.3319 -0.1214 C.2 1 UNL1111111111 0.5304 12 O 5.3421 -1.1009 0.9957 O.2 1 UNL1111111111 -0.5638 13 C 5.7200 -2.1532 -1.1497 C.3 1 UNL1111111111 -0.0004 14 C 5.2993 -3.6188 -0.9905 C.3 1 UNL1111111111 -0.4544 15 N 7.1680 -2.0366 -0.9173 N.3 1 UNL1111111111 -0.5061 16 C 7.6738 -0.6821 -1.2244 C.3 1 UNL1111111111 -0.2776 17 N 0.6258 -0.5624 1.4062 N.am 1 UNL1111111111 -0.5206 18 C 1.0989 -0.3464 2.7862 C.3 1 UNL1111111111 -0.0573 19 C -0.0586 -0.7855 3.7081 C.3 1 UNL1111111111 -0.2796 20 C -1.0078 -1.6122 2.8263 C.3 1 UNL1111111111 -0.2841 21 C -0.7188 -1.1637 1.3749 C.3 1 UNL1111111111 0.1009 22 C -1.7252 -0.1457 0.9266 C.ar 1 UNL1111111111 0.1051 23 N -2.8794 -0.4654 0.4240 N.ar 1 UNL1111111111 -0.3761 24 C -3.6526 0.6602 0.0840 C.ar 1 UNL1111111111 0.0950 25 C -4.9352 0.6083 -0.4845 C.ar 1 UNL1111111111 0.0120 26 C -5.5684 1.8192 -0.7639 C.ar 1 UNL1111111111 -0.1588 27 C -4.9515 3.0452 -0.4901 C.ar 1 UNL1111111111 -0.1380 28 C -3.6792 3.1022 0.0709 C.ar 1 UNL1111111111 -0.1336 29 C -3.0353 1.9066 0.3564 C.ar 1 UNL1111111111 -0.1569 30 S -1.4442 1.6356 1.0494 S.2 1 UNL1111111111 0.1148 31 C -5.5898 -0.6678 -0.7848 C.ar 1 UNL1111111111 -0.0150 32 C -6.9014 -0.8963 -0.3581 C.ar 1 UNL1111111111 -0.1478 33 C -7.5257 -2.1065 -0.6496 C.ar 1 UNL1111111111 -0.1530 34 C -6.8469 -3.0881 -1.3697 C.ar 1 UNL1111111111 -0.1469 35 C -5.5382 -2.8627 -1.7934 C.ar 1 UNL1111111111 -0.1489 36 C -4.9069 -1.6568 -1.4993 C.ar 1 UNL1111111111 -0.1069 37 H 3.2875 -0.1821 1.4267 H 1 UNL1111111111 0.1833 38 H 2.0547 1.8980 0.7244 H 1 UNL1111111111 0.1474 39 H 4.5259 1.8980 1.2559 H 1 UNL1111111111 0.1387 40 H 4.9079 1.5995 -0.4374 H 1 UNL1111111111 0.1430 41 H 3.4102 4.0663 0.6738 H 1 UNL1111111111 0.1341 42 H 5.0709 4.0427 0.0738 H 1 UNL1111111111 0.1276 43 H 3.4868 4.9153 -1.6732 H 1 UNL1111111111 0.1247 44 H 4.2925 3.4425 -2.2203 H 1 UNL1111111111 0.1350 45 H 1.4437 3.6156 -1.0305 H 1 UNL1111111111 0.1395 46 H 1.8448 3.3275 -2.7251 H 1 UNL1111111111 0.1302 47 H 2.9929 1.1817 -2.1372 H 1 UNL1111111111 0.1377 48 H 1.3165 1.1680 -1.5780 H 1 UNL1111111111 0.1537 49 H 3.2901 -1.0664 -1.4345 H 1 UNL1111111111 0.3337 50 H 5.5018 -1.8032 -2.1917 H 1 UNL1111111111 0.1553 51 H 5.4277 -3.9705 0.0411 H 1 UNL1111111111 0.1589 52 H 4.2513 -3.7710 -1.2703 H 1 UNL1111111111 0.1543 53 H 5.9186 -4.2655 -1.6287 H 1 UNL1111111111 0.1694 54 H 7.3970 -2.2923 0.0468 H 1 UNL1111111111 0.2708 55 H 7.2305 0.1151 -0.6060 H 1 UNL1111111111 0.1304 56 H 8.7654 -0.6750 -1.0651 H 1 UNL1111111111 0.1479 57 H 7.4952 -0.4490 -2.2858 H 1 UNL1111111111 0.1439 58 H 2.0163 -0.9409 2.9889 H 1 UNL1111111111 0.1400 59 H 1.3507 0.7269 2.9271 H 1 UNL1111111111 0.1461 60 H 0.3087 -1.3698 4.5663 H 1 UNL1111111111 0.1462 61 H -0.5794 0.0923 4.1307 H 1 UNL1111111111 0.1516 62 H -0.8164 -2.6942 2.9363 H 1 UNL1111111111 0.1533 63 H -2.0665 -1.4634 3.1006 H 1 UNL1111111111 0.1643 64 H -0.7433 -2.0369 0.6573 H 1 UNL1111111111 0.1946 65 H -6.5623 1.8104 -1.2134 H 1 UNL1111111111 0.1643 66 H -5.4789 3.9694 -0.7246 H 1 UNL1111111111 0.1560 67 H -3.2092 4.0625 0.2745 H 1 UNL1111111111 0.1610 68 H -7.4286 -0.1332 0.2104 H 1 UNL1111111111 0.1512 69 H -8.5439 -2.2857 -0.3129 H 1 UNL1111111111 0.1449 70 H -7.3371 -4.0312 -1.5976 H 1 UNL1111111111 0.1429 71 H -5.0045 -3.6302 -2.3495 H 1 UNL1111111111 0.1496 72 H -3.8750 -1.4858 -1.8115 H 1 UNL1111111111 0.1700 @BOND 1 1 2 2 2 2 3 1 3 2 17 am 4 3 4 1 5 3 10 1 6 3 37 1 7 4 5 1 8 4 9 1 9 4 38 1 10 5 6 1 11 5 39 1 12 5 40 1 13 6 7 1 14 6 41 1 15 6 42 1 16 7 8 1 17 7 43 1 18 7 44 1 19 8 9 1 20 8 45 1 21 8 46 1 22 9 47 1 23 9 48 1 24 10 11 am 25 10 49 1 26 11 12 2 27 11 13 1 28 13 14 1 29 13 15 1 30 13 50 1 31 14 51 1 32 14 52 1 33 14 53 1 34 15 16 1 35 15 54 1 36 16 55 1 37 16 56 1 38 16 57 1 39 17 18 1 40 17 21 1 41 18 19 1 42 18 58 1 43 18 59 1 44 19 20 1 45 19 60 1 46 19 61 1 47 20 21 1 48 20 62 1 49 20 63 1 50 21 22 1 51 21 64 1 52 22 23 ar 53 22 30 ar 54 23 24 ar 55 24 25 ar 56 24 29 ar 57 25 26 ar 58 25 31 1 59 26 27 ar 60 26 65 1 61 27 28 ar 62 27 66 1 63 28 29 ar 64 28 67 1 65 29 30 ar 66 31 32 ar 67 31 36 ar 68 32 33 ar 69 32 68 1 70 33 34 ar 71 33 69 1 72 34 35 ar 73 34 70 1 74 35 36 ar 75 35 71 1 76 36 72 1