@MOLECULE {trans-4-[4-(6-carbamoyl-3,5-dimethyl-2-pyrazinyl)phenyl]cyclohexyl}acetic acid 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.2923 -1.4171 1.5963 O.3 1 UNL1111111111 -0.5658 2 O 8.1478 -1.6916 -0.4396 O.2 1 UNL1111111111 -0.5085 3 O -6.8760 -2.2779 0.0546 O.2 1 UNL1111111111 -0.5407 4 N -3.6976 -0.7047 -0.1031 N.ar 1 UNL1111111111 -0.2947 5 N -5.1815 1.5842 0.4476 N.ar 1 UNL1111111111 -0.3952 6 N -4.8566 -3.1855 -0.3476 N.am 1 UNL1111111111 -0.6481 7 C 5.3708 0.2637 0.2366 C.3 1 UNL1111111111 -0.0742 8 C 2.6178 0.7446 -0.7098 C.3 1 UNL1111111111 -0.1217 9 C 4.7749 1.6818 0.2059 C.3 1 UNL1111111111 -0.2792 10 C 4.7506 -0.5874 -0.8843 C.3 1 UNL1111111111 -0.2836 11 C 3.2545 1.6155 0.3908 C.3 1 UNL1111111111 -0.2709 12 C 3.2316 -0.6686 -0.7020 C.3 1 UNL1111111111 -0.2682 13 C 6.9010 0.3362 0.0803 C.3 1 UNL1111111111 -0.3713 14 C 1.1287 0.6659 -0.5153 C.ar 1 UNL1111111111 0.0073 15 C 0.5869 0.1120 0.6471 C.ar 1 UNL1111111111 -0.1723 16 C 0.2766 1.1459 -1.5132 C.ar 1 UNL1111111111 -0.1751 17 C 7.5177 -1.0042 0.3192 C.2 1 UNL1111111111 0.6482 18 C -0.7922 0.0425 0.8172 C.ar 1 UNL1111111111 -0.1186 19 C -1.1036 1.0798 -1.3488 C.ar 1 UNL1111111111 -0.1295 20 C -1.6360 0.5351 -0.1792 C.ar 1 UNL1111111111 -0.0238 21 C -3.0936 0.4833 0.0036 C.ar 1 UNL1111111111 0.0320 22 C -3.8516 1.6582 0.2922 C.ar 1 UNL1111111111 0.1997 23 C -5.0360 -0.7718 0.0545 C.ar 1 UNL1111111111 -0.0944 24 C -3.2079 2.9899 0.4372 C.3 1 UNL1111111111 -0.4494 25 C -5.8014 0.3846 0.3306 C.ar 1 UNL1111111111 0.2410 26 C -7.2725 0.3675 0.5073 C.3 1 UNL1111111111 -0.4471 27 C -5.6762 -2.1187 -0.0749 C.2 1 UNL1111111111 0.6065 28 H 5.1321 -0.2048 1.2245 H 1 UNL1111111111 0.1553 29 H 2.8478 1.2156 -1.6986 H 1 UNL1111111111 0.1441 30 H 5.2220 2.3038 1.0029 H 1 UNL1111111111 0.1360 31 H 5.0212 2.1819 -0.7488 H 1 UNL1111111111 0.1401 32 H 4.9947 -0.1586 -1.8739 H 1 UNL1111111111 0.1430 33 H 5.1859 -1.6046 -0.8822 H 1 UNL1111111111 0.1435 34 H 3.0119 1.2105 1.3909 H 1 UNL1111111111 0.1429 35 H 2.8203 2.6317 0.3630 H 1 UNL1111111111 0.1373 36 H 2.7802 -1.2780 -1.5071 H 1 UNL1111111111 0.1426 37 H 2.9898 -1.1898 0.2428 H 1 UNL1111111111 0.1430 38 H 7.1762 0.6991 -0.9327 H 1 UNL1111111111 0.1786 39 H 7.3214 1.0730 0.7988 H 1 UNL1111111111 0.1794 40 H 1.2443 -0.2729 1.4249 H 1 UNL1111111111 0.1559 41 H 0.6894 1.5697 -2.4268 H 1 UNL1111111111 0.1542 42 H -1.2141 -0.4007 1.7189 H 1 UNL1111111111 0.1612 43 H -1.7663 1.4422 -2.1332 H 1 UNL1111111111 0.1566 44 H 7.6820 -2.3016 1.8001 H 1 UNL1111111111 0.3543 45 H -2.7624 3.3262 -0.5126 H 1 UNL1111111111 0.1733 46 H -3.9278 3.7655 0.7519 H 1 UNL1111111111 0.1849 47 H -2.3991 2.9674 1.1848 H 1 UNL1111111111 0.1738 48 H -7.5707 -0.3042 1.3337 H 1 UNL1111111111 0.1912 49 H -7.6869 1.3664 0.7144 H 1 UNL1111111111 0.1760 50 H -7.7811 -0.0351 -0.3882 H 1 UNL1111111111 0.1909 51 H -3.8675 -3.0718 -0.4620 H 1 UNL1111111111 0.3258 52 H -5.2413 -4.1025 -0.4455 H 1 UNL1111111111 0.3133 @BOND 1 1 17 1 2 1 44 1 3 2 17 2 4 3 27 2 5 4 21 ar 6 4 23 ar 7 5 22 ar 8 5 25 ar 9 6 27 am 10 6 51 1 11 6 52 1 12 7 9 1 13 7 10 1 14 7 13 1 15 7 28 1 16 8 11 1 17 8 12 1 18 8 14 1 19 8 29 1 20 9 11 1 21 9 30 1 22 9 31 1 23 10 12 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 36 1 29 12 37 1 30 13 17 1 31 13 38 1 32 13 39 1 33 14 15 ar 34 14 16 ar 35 15 18 ar 36 15 40 1 37 16 19 ar 38 16 41 1 39 18 20 ar 40 18 42 1 41 19 20 ar 42 19 43 1 43 20 21 1 44 21 22 ar 45 22 24 1 46 23 25 ar 47 23 27 1 48 24 45 1 49 24 46 1 50 24 47 1 51 25 26 1 52 26 48 1 53 26 49 1 54 26 50 1