@MOLECULE 3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxo-4-morpholinyl}-5-(3,3-dimethyl-1-butyn-1-yl)-2-thiophenecarboxylic acid 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.3990 -0.9089 0.6067 C.ar 1 UNL111111111 0.2743 2 C -1.5226 0.3541 1.3470 C.2 1 UNL111111111 0.5336 3 C -3.0433 0.5026 1.3613 C.3 1 UNL111111111 0.0495 4 O -3.6123 0.1017 0.1270 O.3 1 UNL111111111 -0.4051 5 O -0.8054 1.0372 2.0436 O.2 1 UNL111111111 -0.5030 6 O -0.7709 -3.7426 0.8464 O.2 1 UNL111111111 -0.5290 7 C -1.8298 0.8478 -1.9828 C.3 1 UNL111111111 -0.2682 8 C -3.4449 1.9683 1.5100 C.3 1 UNL111111111 -0.3666 9 C 1.3298 0.1704 0.4492 C.ar 1 UNL111111111 -0.2320 10 C 2.6377 -0.2483 0.4641 C.ar 1 UNL111111111 -0.0360 11 C 1.0164 -2.1411 0.7689 C.ar 1 UNL111111111 -0.4083 12 C 0.3753 -3.4071 1.0287 C.2 1 UNL111111111 0.6924 13 C 3.7784 0.5265 0.3121 C.1 1 UNL111111111 -0.1503 14 C 4.7688 1.2176 0.1806 C.1 1 UNL111111111 -0.0133 15 C 5.9403 2.0464 0.0240 C.3 1 UNL111111111 0.1339 16 C 7.1375 1.3646 0.7121 C.3 1 UNL111111111 -0.4540 17 C 6.2307 2.2249 -1.4784 C.3 1 UNL111111111 -0.4543 18 C 5.6707 3.4185 0.6700 C.3 1 UNL111111111 -0.4521 19 C -4.9312 2.0906 1.8847 C.3 1 UNL111111111 0.1987 20 C -5.3419 3.5499 2.0726 C.3 1 UNL111111111 -0.4774 21 N -0.9994 -0.7063 0.6066 N.am 1 UNL111111111 -0.4817 22 C -3.2463 -1.2095 -0.2515 C.3 1 UNL111111111 -0.0601 23 C -1.7369 -1.2846 -0.5406 C.3 1 UNL111111111 0.0263 24 C -1.3084 -0.5899 -1.8597 C.3 1 UNL111111111 -0.1388 25 C -1.7672 -1.4187 -3.0709 C.3 1 UNL111111111 -0.2733 26 C -1.2250 -0.7858 -4.3608 C.3 1 UNL111111111 -0.2605 27 C -1.7005 0.6676 -4.4919 C.3 1 UNL111111111 -0.2631 28 C -1.2825 1.4889 -3.2644 C.3 1 UNL111111111 -0.2627 29 S 2.7451 -1.9710 0.6989 S.2 1 UNL111111111 0.3814 30 O 1.2524 -4.3140 1.5513 O.3 1 UNL111111111 -0.5594 31 O -5.7562 1.5928 0.8459 O.3 1 UNL111111111 -0.5866 32 H -3.4551 -0.1381 2.1795 H 1 UNL111111111 0.1563 33 H -2.9367 0.8609 -1.9966 H 1 UNL111111111 0.1536 34 H -1.5344 1.4424 -1.0997 H 1 UNL111111111 0.1349 35 H -2.8080 2.4624 2.2735 H 1 UNL111111111 0.1853 36 H -3.2532 2.5127 0.5617 H 1 UNL111111111 0.1752 37 H 1.0116 1.2005 0.3500 H 1 UNL111111111 0.1970 38 H 7.3438 0.3823 0.2723 H 1 UNL111111111 0.1510 39 H 8.0446 1.9700 0.6151 H 1 UNL111111111 0.1506 40 H 6.9504 1.2137 1.7816 H 1 UNL111111111 0.1538 41 H 5.3800 2.6822 -1.9965 H 1 UNL111111111 0.1532 42 H 7.1016 2.8691 -1.6377 H 1 UNL111111111 0.1514 43 H 6.4336 1.2638 -1.9634 H 1 UNL111111111 0.1506 44 H 5.4607 3.3205 1.7415 H 1 UNL111111111 0.1548 45 H 6.5322 4.0845 0.5582 H 1 UNL111111111 0.1503 46 H 4.8064 3.9122 0.2103 H 1 UNL111111111 0.1543 47 H -5.1738 1.4831 2.7867 H 1 UNL111111111 0.1148 48 H -5.1314 4.1406 1.1732 H 1 UNL111111111 0.1580 49 H -6.4246 3.6201 2.2440 H 1 UNL111111111 0.1600 50 H -4.8301 4.0111 2.9212 H 1 UNL111111111 0.1466 51 H -3.5451 -1.9318 0.5310 H 1 UNL111111111 0.1442 52 H -3.8482 -1.3806 -1.1641 H 1 UNL111111111 0.1576 53 H -1.4563 -2.3767 -0.6148 H 1 UNL111111111 0.1827 54 H -0.1880 -0.5547 -1.8729 H 1 UNL111111111 0.1474 55 H -1.4131 -2.4618 -2.9845 H 1 UNL111111111 0.1330 56 H -2.8706 -1.4664 -3.1138 H 1 UNL111111111 0.1393 57 H -0.1196 -0.8223 -4.3635 H 1 UNL111111111 0.1355 58 H -1.5517 -1.3734 -5.2375 H 1 UNL111111111 0.1289 59 H -1.2882 1.1206 -5.4110 H 1 UNL111111111 0.1267 60 H -2.8006 0.6949 -4.6039 H 1 UNL111111111 0.1371 61 H -1.6536 2.5257 -3.3569 H 1 UNL111111111 0.1324 62 H -0.1804 1.5621 -3.2134 H 1 UNL111111111 0.1349 63 H 0.8283 -5.1840 1.7538 H 1 UNL111111111 0.3557 64 H -5.2784 0.9224 0.3209 H 1 UNL111111111 0.3383 @BOND 1 1 9 ar 2 2 21 am 3 3 2 1 4 3 8 1 5 3 4 1 6 3 32 1 7 5 2 2 8 6 12 2 9 7 28 1 10 7 33 1 11 7 34 1 12 8 19 1 13 8 35 1 14 8 36 1 15 9 37 1 16 10 9 ar 17 10 13 1 18 11 29 ar 19 11 1 ar 20 12 11 1 21 13 14 3 22 14 15 1 23 15 16 1 24 15 17 1 25 16 38 1 26 16 39 1 27 16 40 1 28 17 41 1 29 17 42 1 30 17 43 1 31 18 15 1 32 18 44 1 33 18 45 1 34 18 46 1 35 19 31 1 36 19 20 1 37 19 47 1 38 20 48 1 39 20 49 1 40 20 50 1 41 21 1 1 42 21 23 1 43 22 4 1 44 22 23 1 45 22 51 1 46 22 52 1 47 23 24 1 48 23 53 1 49 24 25 1 50 24 7 1 51 24 54 1 52 25 26 1 53 25 55 1 54 25 56 1 55 26 27 1 56 26 57 1 57 26 58 1 58 27 59 1 59 27 60 1 60 28 27 1 61 28 61 1 62 28 62 1 63 29 10 ar 64 30 12 1 65 30 63 1 66 31 64 1