@MOLECULE n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxy-2-butanyl]acetamide 74 77 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2556 -3.0282 -1.1214 C.ar 1 UNL111111111 -0.2732 2 C -0.7877 -2.8240 0.1555 C.ar 1 UNL111111111 0.1248 3 C -2.1541 -2.5718 0.3156 C.ar 1 UNL111111111 -0.2965 4 C -2.9585 -2.5174 -0.8205 C.ar 1 UNL111111111 0.2520 5 C -2.4736 -2.6996 -2.1140 C.ar 1 UNL111111111 -0.3276 6 C -1.1070 -2.9573 -2.2202 C.ar 1 UNL111111111 0.2532 7 F -0.5973 -3.1359 -3.4287 F 1 UNL111111111 -0.1718 8 F -4.2514 -2.2727 -0.6675 F 1 UNL111111111 -0.1780 9 C 0.1180 -2.8205 1.3439 C.3 1 UNL111111111 -0.3351 10 C 0.8291 -1.4491 1.4150 C.3 1 UNL111111111 0.0691 11 C 1.2707 -1.1037 2.8647 C.3 1 UNL111111111 0.1117 12 C 1.4143 0.4271 3.1039 C.3 1 UNL111111111 -0.1644 13 N 2.2546 1.0349 2.0554 N.3 1 UNL111111111 -0.5744 14 C 1.6390 2.2322 1.4197 C.3 1 UNL111111111 0.0752 15 C 0.4832 1.8021 0.5605 C.ar 1 UNL111111111 -0.1552 16 C 0.7413 1.3783 -0.7442 C.ar 1 UNL111111111 0.2333 17 O 1.9806 1.2977 -1.2869 O.3 1 UNL111111111 -0.3684 18 C 3.0813 1.9339 -0.6242 C.3 1 UNL111111111 0.1425 19 C 2.6743 2.8983 0.4893 C.3 1 UNL111111111 -0.3580 20 C -0.8315 1.7928 1.0216 C.ar 1 UNL111111111 -0.1476 21 C -1.8633 1.3339 0.2035 C.ar 1 UNL111111111 -0.0257 22 C -1.5791 0.8962 -1.0967 C.ar 1 UNL111111111 -0.1124 23 C -0.2819 0.9235 -1.5867 C.ar 1 UNL111111111 -0.2326 24 C -3.2669 1.2934 0.7185 C.3 1 UNL111111111 -0.3060 25 C -4.0513 2.6054 0.4514 C.3 1 UNL111111111 0.1436 26 C -4.1403 2.8789 -1.0562 C.3 1 UNL111111111 -0.4695 27 C -5.4718 2.4318 1.0184 C.3 1 UNL111111111 -0.4748 28 C -3.3707 3.7913 1.1503 C.3 1 UNL111111111 -0.4680 29 C 3.8488 2.6540 -1.7136 C.3 1 UNL111111111 -0.2127 30 C 3.0994 3.3225 -2.8463 C.3 1 UNL111111111 -0.3001 31 C 3.8885 2.0644 -3.1075 C.3 1 UNL111111111 -0.2967 32 O 0.3176 -1.5599 3.7986 O.3 1 UNL111111111 -0.5486 33 N 1.9733 -1.4131 0.4974 N.am 1 UNL111111111 -0.5958 34 C 3.0728 -2.2348 0.6513 C.2 1 UNL111111111 0.6129 35 C 4.2148 -1.9536 -0.2917 C.3 1 UNL111111111 -0.5277 36 O 3.0939 -3.1459 1.4551 O.2 1 UNL111111111 -0.5599 37 H 0.8112 -3.2179 -1.2430 H 1 UNL111111111 0.1920 38 H -2.5754 -2.4196 1.3058 H 1 UNL111111111 0.1772 39 H -3.1202 -2.6503 -2.9856 H 1 UNL111111111 0.1895 40 H -0.4283 -3.0310 2.2854 H 1 UNL111111111 0.1752 41 H 0.8725 -3.6396 1.2911 H 1 UNL111111111 0.2012 42 H 0.1059 -0.6557 1.0679 H 1 UNL111111111 0.1563 43 H 2.1872 -1.6669 3.1521 H 1 UNL111111111 0.1748 44 H 0.3992 0.8775 3.1302 H 1 UNL111111111 0.1401 45 H 1.8423 0.5811 4.1178 H 1 UNL111111111 0.1350 46 H 3.1852 1.2452 2.4083 H 1 UNL111111111 0.2647 47 H 1.3001 2.9772 2.1871 H 1 UNL111111111 0.1268 48 H 3.6674 1.0727 -0.2189 H 1 UNL111111111 0.1431 49 H 2.2318 3.8189 0.0559 H 1 UNL111111111 0.1694 50 H 3.5651 3.2289 1.0518 H 1 UNL111111111 0.1545 51 H -1.0572 2.1467 2.0262 H 1 UNL111111111 0.1522 52 H -2.3876 0.5295 -1.7308 H 1 UNL111111111 0.1622 53 H -0.0470 0.5905 -2.5946 H 1 UNL111111111 0.1763 54 H -3.8201 0.4476 0.2599 H 1 UNL111111111 0.1555 55 H -3.2748 1.0848 1.8067 H 1 UNL111111111 0.1449 56 H -4.6049 2.0428 -1.5888 H 1 UNL111111111 0.1458 57 H -4.7344 3.7744 -1.2635 H 1 UNL111111111 0.1432 58 H -3.1460 3.0380 -1.4907 H 1 UNL111111111 0.1537 59 H -5.4546 2.2466 2.0966 H 1 UNL111111111 0.1423 60 H -6.0772 3.3284 0.8498 H 1 UNL111111111 0.1462 61 H -5.9926 1.5929 0.5452 H 1 UNL111111111 0.1475 62 H -2.3673 3.9677 0.7448 H 1 UNL111111111 0.1523 63 H -3.9438 4.7139 1.0131 H 1 UNL111111111 0.1426 64 H -3.2720 3.6211 2.2263 H 1 UNL111111111 0.1403 65 H 4.7518 3.1377 -1.3271 H 1 UNL111111111 0.1594 66 H 2.0113 3.2799 -2.8612 H 1 UNL111111111 0.1682 67 H 3.4460 4.2740 -3.2353 H 1 UNL111111111 0.1509 68 H 4.8065 2.1085 -3.6843 H 1 UNL111111111 0.1501 69 H 3.3578 1.1351 -3.3099 H 1 UNL111111111 0.1698 70 H -0.5683 -1.1892 3.6171 H 1 UNL111111111 0.3083 71 H 2.0596 -0.5516 -0.0322 H 1 UNL111111111 0.3282 72 H 3.8779 -1.7344 -1.3125 H 1 UNL111111111 0.1730 73 H 4.8135 -1.1046 0.0612 H 1 UNL111111111 0.1673 74 H 4.8841 -2.8264 -0.3418 H 1 UNL111111111 0.1826 @BOND 1 1 2 ar 2 1 37 1 3 2 9 1 4 2 3 ar 5 3 38 1 6 4 3 ar 7 4 8 1 8 5 4 ar 9 5 39 1 10 6 1 ar 11 6 5 ar 12 7 6 1 13 9 40 1 14 9 41 1 15 10 9 1 16 10 11 1 17 10 42 1 18 11 32 1 19 11 43 1 20 12 11 1 21 12 13 1 22 12 44 1 23 12 45 1 24 13 46 1 25 14 13 1 26 14 47 1 27 15 14 1 28 15 20 ar 29 16 15 ar 30 17 16 1 31 17 18 1 32 18 29 1 33 18 19 1 34 18 48 1 35 19 14 1 36 19 49 1 37 19 50 1 38 20 51 1 39 21 20 ar 40 21 24 1 41 22 21 ar 42 22 52 1 43 23 16 ar 44 23 22 ar 45 23 53 1 46 24 25 1 47 24 54 1 48 24 55 1 49 25 26 1 50 25 28 1 51 26 56 1 52 26 57 1 53 26 58 1 54 27 25 1 55 27 59 1 56 27 60 1 57 27 61 1 58 28 62 1 59 28 63 1 60 28 64 1 61 29 31 1 62 29 65 1 63 30 29 1 64 30 31 1 65 30 66 1 66 30 67 1 67 31 68 1 68 31 69 1 69 32 70 1 70 33 10 1 71 33 71 1 72 34 33 am 73 35 34 1 74 35 72 1 75 35 73 1 76 35 74 1 77 36 34 2