@MOLECULE n-[2-({(3s,4s)-1-[trans-4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxy-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 F -10.2448 2.6455 -0.2093 F 1 UNL1111111111 -0.2006 2 F -9.5014 1.9631 1.6353 F 1 UNL1111111111 -0.2019 3 F -8.3243 3.2258 0.4238 F 1 UNL1111111111 -0.2014 4 O 0.2343 -2.1904 -1.5772 O.3 1 UNL1111111111 -0.3866 5 O 7.8036 -0.6446 2.5625 O.3 1 UNL1111111111 -0.5691 6 O 7.7324 1.2939 -2.8009 O.3 1 UNL1111111111 -0.3423 7 O 8.3834 3.3936 -1.9440 O.3 1 UNL1111111111 -0.3424 8 O -2.3400 0.1513 -0.3326 O.2 1 UNL1111111111 -0.4949 9 O -5.2642 -2.3837 0.3542 O.2 1 UNL1111111111 -0.5114 10 N 2.5564 -1.0991 0.5204 N.3 1 UNL1111111111 -0.4430 11 N -1.0412 -0.9626 1.1741 N.am 1 UNL1111111111 -0.6254 12 N -4.6782 -0.2837 0.9971 N.am 1 UNL1111111111 -0.5592 13 C 3.7604 -1.2510 1.3804 C.3 1 UNL1111111111 0.0603 14 C 4.1780 0.1307 1.9275 C.3 1 UNL1111111111 -0.2834 15 C 4.8890 -1.8068 0.4736 C.3 1 UNL1111111111 -0.2814 16 C 6.6381 -0.4777 1.7584 C.3 1 UNL1111111111 0.3181 17 C 1.3993 -0.4282 1.1626 C.3 1 UNL1111111111 -0.1416 18 C 2.0792 -2.4023 -0.0118 C.3 1 UNL1111111111 -0.1748 19 C 0.1600 -0.8909 0.3498 C.3 1 UNL1111111111 0.0544 20 C 5.5052 0.0364 2.6771 C.3 1 UNL1111111111 -0.3301 21 C 6.2380 -1.8522 1.1906 C.3 1 UNL1111111111 -0.3346 22 C 0.5534 -2.2909 -0.2096 C.3 1 UNL1111111111 0.0508 23 C 7.0951 0.5630 0.7546 C.ar 1 UNL1111111111 -0.0258 24 C 7.1388 0.2945 -0.6280 C.ar 1 UNL1111111111 -0.1877 25 C 7.5182 1.7939 1.2565 C.ar 1 UNL1111111111 -0.1346 26 C 0.1677 -3.4327 -2.2676 C.3 1 UNL1111111111 -0.0247 27 C -2.2484 -0.4831 0.6930 C.2 1 UNL1111111111 0.5576 28 C 7.5873 1.3130 -1.4336 C.ar 1 UNL1111111111 0.1235 29 C 7.9647 2.8374 0.4255 C.ar 1 UNL1111111111 -0.1935 30 C 7.9855 2.5673 -0.9207 C.ar 1 UNL1111111111 0.1296 31 C -3.4467 -0.7651 1.6062 C.3 1 UNL1111111111 -0.1643 32 C -0.0787 -3.0092 -3.7111 C.3 1 UNL1111111111 -0.4527 33 C 8.2344 2.6051 -3.1460 C.3 1 UNL1111111111 0.1582 34 C -5.4952 -1.1916 0.3325 C.2 1 UNL1111111111 0.5813 35 C -6.7172 -0.6158 -0.2890 C.ar 1 UNL1111111111 -0.1432 36 C -7.3687 0.4598 0.3093 C.ar 1 UNL1111111111 -0.0652 37 C -7.2261 -1.2015 -1.4498 C.ar 1 UNL1111111111 -0.0444 38 C -8.5176 0.9775 -0.2869 C.ar 1 UNL1111111111 -0.1535 39 C -8.3923 -0.6938 -2.0193 C.ar 1 UNL1111111111 -0.1758 40 C -9.0367 0.4035 -1.4460 C.ar 1 UNL1111111111 -0.0575 41 C -9.1423 2.1733 0.3666 C.3 1 UNL1111111111 0.5489 42 H 3.5839 -1.9497 2.2349 H 1 UNL1111111111 0.1031 43 H 3.3974 0.5318 2.5981 H 1 UNL1111111111 0.1334 44 H 4.2600 0.8512 1.0870 H 1 UNL1111111111 0.1706 45 H 4.9464 -1.1704 -0.4350 H 1 UNL1111111111 0.1697 46 H 4.6327 -2.8192 0.1147 H 1 UNL1111111111 0.1350 47 H 1.5464 0.6692 1.0616 H 1 UNL1111111111 0.1607 48 H 1.2887 -0.6555 2.2385 H 1 UNL1111111111 0.1179 49 H 2.5811 -2.5494 -0.9952 H 1 UNL1111111111 0.1684 50 H 2.3400 -3.2639 0.6300 H 1 UNL1111111111 0.1173 51 H -0.0211 -0.1957 -0.5222 H 1 UNL1111111111 0.2067 52 H 5.4075 -0.6326 3.5500 H 1 UNL1111111111 0.1371 53 H 5.7752 1.0226 3.1001 H 1 UNL1111111111 0.1551 54 H 7.0288 -2.2242 0.5093 H 1 UNL1111111111 0.1584 55 H 6.1916 -2.5871 2.0174 H 1 UNL1111111111 0.1387 56 H -0.0011 -3.1206 0.2644 H 1 UNL1111111111 0.1211 57 H -0.9924 -1.5317 2.0030 H 1 UNL1111111111 0.3047 58 H 7.6919 -1.3614 3.2120 H 1 UNL1111111111 0.3107 59 H 6.8466 -0.6645 -1.0438 H 1 UNL1111111111 0.1782 60 H 7.5269 1.9560 2.3360 H 1 UNL1111111111 0.1670 61 H 1.1150 -3.9844 -2.1509 H 1 UNL1111111111 0.1088 62 H -0.6651 -4.0316 -1.8577 H 1 UNL1111111111 0.1154 63 H 8.2798 3.7923 0.8318 H 1 UNL1111111111 0.1732 64 H -3.3109 -0.2523 2.5889 H 1 UNL1111111111 0.1665 65 H -3.5362 -1.8622 1.8099 H 1 UNL1111111111 0.1922 66 H 0.7204 -2.3412 -4.0630 H 1 UNL1111111111 0.1612 67 H -1.0180 -2.4455 -3.7978 H 1 UNL1111111111 0.1631 68 H -0.1287 -3.8707 -4.3809 H 1 UNL1111111111 0.1451 69 H 7.4834 3.0946 -3.7799 H 1 UNL1111111111 0.1397 70 H 9.2314 2.4766 -3.5886 H 1 UNL1111111111 0.1392 71 H -4.6856 0.6971 0.7406 H 1 UNL1111111111 0.3220 72 H -6.9858 0.8849 1.2424 H 1 UNL1111111111 0.1751 73 H -6.7127 -2.0610 -1.8944 H 1 UNL1111111111 0.1764 74 H -8.8018 -1.1552 -2.9181 H 1 UNL1111111111 0.1648 75 H -9.9417 0.7960 -1.9133 H 1 UNL1111111111 0.1673 @BOND 1 1 41 1 2 2 41 1 3 3 41 1 4 4 22 1 5 4 26 1 6 5 16 1 7 5 58 1 8 6 28 1 9 6 33 1 10 7 30 1 11 7 33 1 12 8 27 2 13 9 34 2 14 10 13 1 15 10 17 1 16 10 18 1 17 11 19 1 18 11 27 am 19 11 57 1 20 12 31 1 21 12 34 am 22 12 71 1 23 13 14 1 24 13 15 1 25 13 42 1 26 14 20 1 27 14 43 1 28 14 44 1 29 15 21 1 30 15 45 1 31 15 46 1 32 16 20 1 33 16 21 1 34 16 23 1 35 17 19 1 36 17 47 1 37 17 48 1 38 18 22 1 39 18 49 1 40 18 50 1 41 19 22 1 42 19 51 1 43 20 52 1 44 20 53 1 45 21 54 1 46 21 55 1 47 22 56 1 48 23 24 ar 49 23 25 ar 50 24 28 ar 51 24 59 1 52 25 29 ar 53 25 60 1 54 26 32 1 55 26 61 1 56 26 62 1 57 27 31 1 58 28 30 ar 59 29 30 ar 60 29 63 1 61 31 64 1 62 31 65 1 63 32 66 1 64 32 67 1 65 32 68 1 66 33 69 1 67 33 70 1 68 34 35 1 69 35 36 ar 70 35 37 ar 71 36 38 ar 72 36 72 1 73 37 39 ar 74 37 73 1 75 38 40 ar 76 38 41 1 77 39 40 ar 78 39 74 1 79 40 75 1