@MOLECULE 4-[3-amino-6-(3-ethyl-2-thienyl)pyrazin-2-yl]cyclohexanecarboxylic acid 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2314 -1.0541 -2.8677 C.3 1 UNL111111111 -0.4257 2 C 1.9348 -1.8907 -1.6202 C.3 1 UNL111111111 -0.2601 3 C 2.9252 -1.6023 -0.5486 C.ar 1 UNL111111111 0.0391 4 C 3.9725 -2.5306 -0.2051 C.ar 1 UNL111111111 -0.1946 5 C 4.7765 -2.0945 0.8044 C.ar 1 UNL111111111 -0.2611 6 S 4.2711 -0.5312 1.3675 S.2 1 UNL111111111 0.2253 7 C 2.9635 -0.4594 0.2084 C.ar 1 UNL111111111 -0.1964 8 C 2.0802 0.6827 0.1405 C.ar 1 UNL111111111 0.0454 9 C 2.5636 2.0001 -0.0209 C.ar 1 UNL111111111 0.0288 10 N 1.7264 3.0419 -0.1208 N.ar 1 UNL111111111 -0.4192 11 C 0.3876 2.7999 -0.0817 C.ar 1 UNL111111111 0.2958 12 N -0.4217 3.8947 -0.3091 N.pl3 1 UNL111111111 -0.5864 13 C -0.1088 1.4669 0.1057 C.ar 1 UNL111111111 -0.0003 14 C -1.5781 1.1386 0.1599 C.3 1 UNL111111111 -0.0784 15 C -1.9752 0.4284 -1.1505 C.3 1 UNL111111111 -0.2645 16 C -3.4559 0.0437 -1.1231 C.3 1 UNL111111111 -0.2615 17 C -3.7405 -0.8531 0.0907 C.3 1 UNL111111111 -0.1674 18 C -5.2052 -1.1863 0.1330 C.2 1 UNL111111111 0.6222 19 O -6.1326 -0.6259 -0.3882 O.2 1 UNL111111111 -0.5133 20 O -5.4142 -2.2920 0.8984 O.3 1 UNL111111111 -0.5717 21 C -3.3610 -0.1412 1.4011 C.3 1 UNL111111111 -0.2585 22 C -1.8781 0.2352 1.3714 C.3 1 UNL111111111 -0.2635 23 N 0.7492 0.4504 0.2114 N.ar 1 UNL111111111 -0.2983 24 H 1.5080 -1.2603 -3.6637 H 1 UNL111111111 0.1445 25 H 2.1832 0.0187 -2.6445 H 1 UNL111111111 0.1479 26 H 3.2332 -1.2624 -3.2597 H 1 UNL111111111 0.1463 27 H 0.9074 -1.6663 -1.2510 H 1 UNL111111111 0.1691 28 H 1.9264 -2.9685 -1.8775 H 1 UNL111111111 0.1455 29 H 4.0810 -3.4727 -0.7204 H 1 UNL111111111 0.1633 30 H 5.6185 -2.6055 1.2348 H 1 UNL111111111 0.1738 31 H 3.6334 2.2343 -0.0748 H 1 UNL111111111 0.1917 32 H 0.0118 4.8015 -0.3438 H 1 UNL111111111 0.3152 33 H -1.3775 3.8692 -0.0225 H 1 UNL111111111 0.3010 34 H -2.1838 2.0704 0.2597 H 1 UNL111111111 0.1311 35 H -1.7616 1.0812 -2.0167 H 1 UNL111111111 0.1418 36 H -1.3442 -0.4728 -1.2891 H 1 UNL111111111 0.1579 37 H -1.2481 -0.6784 1.3236 H 1 UNL111111111 0.1702 38 H -1.5874 0.7446 2.3075 H 1 UNL111111111 0.1394 39 H -4.0949 0.9484 -1.0888 H 1 UNL111111111 0.1538 40 H -3.7327 -0.4762 -2.0601 H 1 UNL111111111 0.1447 41 H -3.1434 -1.7991 0.0066 H 1 UNL111111111 0.1806 42 H -3.9846 0.7608 1.5465 H 1 UNL111111111 0.1423 43 H -3.5673 -0.8030 2.2654 H 1 UNL111111111 0.1501 44 H -6.3631 -2.5540 0.9712 H 1 UNL111111111 0.3540 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 3 1 6 2 27 1 7 2 28 1 8 3 4 ar 9 3 7 ar 10 4 5 ar 11 4 29 1 12 5 6 ar 13 5 30 1 14 6 7 ar 15 7 8 1 16 8 9 ar 17 8 23 ar 18 9 10 ar 19 9 31 1 20 10 11 ar 21 11 12 1 22 11 13 ar 23 12 32 1 24 12 33 1 25 13 14 1 26 13 23 ar 27 14 15 1 28 14 22 1 29 14 34 1 30 15 16 1 31 15 35 1 32 15 36 1 33 16 17 1 34 16 39 1 35 16 40 1 36 17 18 1 37 17 21 1 38 17 41 1 39 18 19 2 40 18 20 1 41 20 44 1 42 21 22 1 43 21 42 1 44 21 43 1 45 22 37 1 46 22 38 1