@MOLECULE ethyl 6-{4-[(benzylsulfonyl)carbamoyl]-1-piperidinyl}-5-cyano-2-methylnicotinate 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.4211 -2.1453 -2.4521 C.3 1 UNL1111111111 -0.4626 2 C 4.8689 -0.8863 2.9075 C.3 1 UNL1111111111 -0.4587 3 N 2.6605 1.5637 -3.0560 N.1 1 UNL1111111111 -0.2691 4 O -2.0999 -0.1436 0.9493 O.2 1 UNL1111111111 -0.5468 5 O 6.7978 -2.0264 1.3178 O.2 1 UNL1111111111 -0.5321 6 O -3.9670 -0.3924 -1.9609 O.2 1 UNL1111111111 -0.8491 7 O -5.4034 1.4852 -1.1340 O.2 1 UNL1111111111 -0.8962 8 C 3.0407 1.2737 -1.9992 C.1 1 UNL1111111111 0.1524 9 C -8.6790 -2.3903 0.1349 C.ar 1 UNL1111111111 -0.1497 10 C -7.5106 -3.1472 0.0603 C.ar 1 UNL1111111111 -0.1459 11 C -8.6014 -1.0113 0.3243 C.ar 1 UNL1111111111 -0.1432 12 C -6.2682 -2.5297 0.1808 C.ar 1 UNL1111111111 -0.1477 13 C -7.3611 -0.3899 0.4462 C.ar 1 UNL1111111111 -0.1494 14 C 4.6485 0.0083 -0.7716 C.ar 1 UNL1111111111 0.1034 15 C 8.0244 -2.3157 -0.9949 C.3 1 UNL1111111111 0.0163 16 C 0.0012 2.0197 -0.5822 C.3 1 UNL1111111111 -0.3057 17 C -0.0003 1.3334 1.8521 C.3 1 UNL1111111111 -0.3049 18 C 1.2638 2.8411 -0.2740 C.3 1 UNL1111111111 -0.0985 19 C 1.2883 2.1474 2.0454 C.3 1 UNL1111111111 -0.0842 20 C -4.8575 -0.4968 0.5406 C.3 1 UNL1111111111 -0.5896 21 N 3.4296 0.5677 1.6594 N.ar 1 UNL1111111111 -0.5425 22 N -3.0317 1.4254 -0.3694 N.am 1 UNL1111111111 -0.8957 23 O 6.8576 -1.4877 -0.8567 O.3 1 UNL1111111111 -0.4353 24 C -2.0110 0.9550 0.4412 C.2 1 UNL1111111111 0.6063 25 C 6.3179 -1.4231 0.3873 C.2 1 UNL1111111111 0.6441 26 C 4.4693 -0.2676 1.6163 C.ar 1 UNL1111111111 0.3995 27 C -6.1892 -1.1488 0.3776 C.ar 1 UNL1111111111 -0.0031 28 C 3.5375 0.8627 -0.7464 C.ar 1 UNL1111111111 -0.3098 29 C 5.1457 -0.5512 0.3979 C.ar 1 UNL1111111111 -0.3709 30 C 2.9715 1.1986 0.5237 C.ar 1 UNL1111111111 0.4700 31 C -0.8424 1.8958 0.6964 C.3 1 UNL1111111111 -0.1890 32 N 2.0574 2.1915 0.7790 N.pl3 1 UNL1111111111 -0.3623 33 S -4.4234 0.4540 -0.8988 S.O2 1 UNL1111111111 2.3653 34 H 8.6151 -1.0910 -2.6917 H 1 UNL1111111111 0.1612 35 H 9.3269 -2.7163 -2.6839 H 1 UNL1111111111 0.1519 36 H 7.6239 -2.4853 -3.1263 H 1 UNL1111111111 0.1609 37 H 4.8467 -1.9897 2.8451 H 1 UNL1111111111 0.1916 38 H 5.9108 -0.6270 3.1684 H 1 UNL1111111111 0.1895 39 H 4.2239 -0.5801 3.7450 H 1 UNL1111111111 0.1752 40 H -9.6489 -2.8736 0.0410 H 1 UNL1111111111 0.1483 41 H -7.5694 -4.2232 -0.0945 H 1 UNL1111111111 0.1487 42 H -9.5118 -0.4172 0.3728 H 1 UNL1111111111 0.1488 43 H -5.3597 -3.1275 0.1140 H 1 UNL1111111111 0.1583 44 H -7.3096 0.6927 0.5753 H 1 UNL1111111111 0.1678 45 H 5.1192 -0.2288 -1.7375 H 1 UNL1111111111 0.1865 46 H 7.7459 -3.3527 -0.7386 H 1 UNL1111111111 0.1331 47 H 8.7960 -1.9571 -0.2912 H 1 UNL1111111111 0.1335 48 H -0.5702 2.4927 -1.4023 H 1 UNL1111111111 0.1594 49 H 0.2817 1.0144 -0.9614 H 1 UNL1111111111 0.1722 50 H 0.2516 0.2673 1.6572 H 1 UNL1111111111 0.1810 51 H -0.5872 1.3158 2.7891 H 1 UNL1111111111 0.1570 52 H 1.8684 3.0425 -1.1807 H 1 UNL1111111111 0.1687 53 H 0.9835 3.8577 0.0984 H 1 UNL1111111111 0.1558 54 H 1.0680 3.1950 2.3463 H 1 UNL1111111111 0.1444 55 H 1.9068 1.7103 2.8673 H 1 UNL1111111111 0.1903 56 H -4.8469 0.1383 1.4541 H 1 UNL1111111111 0.1955 57 H -4.0601 -1.2561 0.7490 H 1 UNL1111111111 0.2222 58 H -2.9515 2.3537 -0.7770 H 1 UNL1111111111 0.3259 59 H -1.2305 2.9030 0.9870 H 1 UNL1111111111 0.1567 @BOND 1 1 34 1 2 1 35 1 3 1 36 1 4 2 37 1 5 2 38 1 6 2 39 1 7 3 8 3 8 6 33 2 9 8 28 1 10 9 11 ar 11 9 40 1 12 10 9 ar 13 10 12 ar 14 10 41 1 15 11 13 ar 16 11 42 1 17 12 27 ar 18 12 43 1 19 13 44 1 20 14 29 ar 21 14 45 1 22 15 23 1 23 15 1 1 24 15 46 1 25 15 47 1 26 16 18 1 27 16 48 1 28 16 49 1 29 17 19 1 30 17 50 1 31 17 51 1 32 18 32 1 33 18 52 1 34 18 53 1 35 19 32 1 36 19 54 1 37 19 55 1 38 20 33 1 39 20 56 1 40 20 57 1 41 21 26 ar 42 22 24 am 43 22 58 1 44 24 4 2 45 24 31 1 46 25 23 1 47 25 5 2 48 26 29 ar 49 26 2 1 50 27 13 ar 51 27 20 1 52 28 14 ar 53 29 25 1 54 30 28 ar 55 30 21 ar 56 31 17 1 57 31 16 1 58 31 59 1 59 32 30 1 60 33 7 2 61 33 22 1