@MOLECULE 3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxo-1-piperazinyl]-n-(1,3-thiazol-2-yl)propanamide 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6132 0.0836 -2.3134 O.2 1 UNL1111111111 -0.4281 2 C 2.0884 0.1239 -1.2328 C.2 1 UNL1111111111 0.5335 3 N 2.7601 -0.1133 -0.0273 N.am 1 UNL1111111111 -0.5628 4 C 4.0930 -0.4635 0.0365 C.ar 1 UNL1111111111 0.2829 5 N 4.8044 -1.0735 -0.8894 N.ar 1 UNL1111111111 -0.4039 6 C 6.1418 -1.2042 -0.5131 C.ar 1 UNL1111111111 0.0389 7 C 6.4718 -0.7157 0.7189 C.ar 1 UNL1111111111 -0.3735 8 S 5.0790 -0.0175 1.4957 S.2 1 UNL1111111111 0.1294 9 C 0.6034 0.5529 -1.0804 C.3 1 UNL1111111111 0.0172 10 N -0.1942 -0.5599 -0.5591 N.am 1 UNL1111111111 -0.4925 11 C -1.0038 -1.2700 -1.5628 C.3 1 UNL1111111111 -0.1153 12 C -1.5249 -2.6035 -0.9853 C.3 1 UNL1111111111 -0.0980 13 N -2.2399 -2.4103 0.2828 N.3 1 UNL1111111111 -0.7325 14 S -3.8782 -1.7656 0.1577 S.O2 1 UNL1111111111 2.3478 15 O -4.0136 -1.2315 -1.1763 O.2 1 UNL1111111111 -0.9223 16 C -4.8782 -3.2193 0.2811 C.3 1 UNL1111111111 -0.7424 17 O -4.0739 -0.9386 1.3227 O.2 1 UNL1111111111 -0.9001 18 C -1.3515 -1.8229 1.2894 C.3 1 UNL1111111111 -0.1608 19 C -0.2847 -0.8583 0.7764 C.2 1 UNL1111111111 0.5799 20 O 0.5111 -0.3920 1.5814 O.2 1 UNL1111111111 -0.5995 21 C 0.5347 1.8543 -0.2643 C.3 1 UNL1111111111 -0.3351 22 C -0.7865 2.6202 -0.4633 C.3 1 UNL1111111111 -0.0858 23 C -1.8834 2.0689 0.4626 C.3 1 UNL1111111111 -0.2793 24 C -3.1828 2.8674 0.3082 C.3 1 UNL1111111111 -0.2662 25 C -2.9416 4.3504 0.6115 C.3 1 UNL1111111111 -0.2650 26 C -1.8518 4.9110 -0.3108 C.3 1 UNL1111111111 -0.2640 27 C -0.5509 4.1132 -0.1574 C.3 1 UNL1111111111 -0.2745 28 H 2.1933 -0.1221 0.8413 H 1 UNL1111111111 0.3706 29 H 6.8016 -1.6883 -1.2270 H 1 UNL1111111111 0.1811 30 H 7.4358 -0.7351 1.1908 H 1 UNL1111111111 0.1881 31 H 0.2419 0.7823 -2.1287 H 1 UNL1111111111 0.1772 32 H -1.8561 -0.6237 -1.8942 H 1 UNL1111111111 0.1808 33 H -0.3782 -1.4705 -2.4637 H 1 UNL1111111111 0.1579 34 H -2.1810 -3.1035 -1.7329 H 1 UNL1111111111 0.1552 35 H -0.6750 -3.3065 -0.8025 H 1 UNL1111111111 0.1589 36 H -4.3585 -4.0534 0.7740 H 1 UNL1111111111 0.1957 37 H -5.7903 -3.0315 0.8673 H 1 UNL1111111111 0.1949 38 H -5.2022 -3.5799 -0.7053 H 1 UNL1111111111 0.1921 39 H -1.9249 -1.2917 2.0983 H 1 UNL1111111111 0.2055 40 H -0.8216 -2.6604 1.8149 H 1 UNL1111111111 0.1802 41 H 0.6943 1.6655 0.8175 H 1 UNL1111111111 0.1835 42 H 1.3861 2.5007 -0.5696 H 1 UNL1111111111 0.1651 43 H -1.1249 2.5229 -1.5209 H 1 UNL1111111111 0.1331 44 H -2.0794 1.0066 0.2381 H 1 UNL1111111111 0.1326 45 H -1.5461 2.1000 1.5159 H 1 UNL1111111111 0.1440 46 H -3.5837 2.7436 -0.7148 H 1 UNL1111111111 0.1361 47 H -3.9559 2.4565 0.9852 H 1 UNL1111111111 0.1407 48 H -3.8786 4.9220 0.4886 H 1 UNL1111111111 0.1278 49 H -2.6419 4.4738 1.6688 H 1 UNL1111111111 0.1366 50 H -2.1943 4.8778 -1.3619 H 1 UNL1111111111 0.1342 51 H -1.6702 5.9759 -0.0818 H 1 UNL1111111111 0.1278 52 H -0.1595 4.2288 0.8704 H 1 UNL1111111111 0.1403 53 H 0.2206 4.5224 -0.8341 H 1 UNL1111111111 0.1319 @BOND 1 2 1 2 2 2 3 am 3 3 4 1 4 3 28 1 5 4 8 ar 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 6 29 1 10 7 30 1 11 8 7 ar 12 9 2 1 13 9 31 1 14 10 19 am 15 10 9 1 16 11 10 1 17 11 32 1 18 11 33 1 19 12 13 1 20 12 11 1 21 12 34 1 22 12 35 1 23 13 18 1 24 14 13 1 25 14 16 1 26 15 14 2 27 16 36 1 28 16 37 1 29 16 38 1 30 17 14 2 31 18 19 1 32 18 39 1 33 18 40 1 34 19 20 2 35 21 9 1 36 21 41 1 37 21 42 1 38 22 27 1 39 22 21 1 40 22 43 1 41 23 22 1 42 23 44 1 43 23 45 1 44 24 25 1 45 24 23 1 46 24 46 1 47 24 47 1 48 25 26 1 49 25 48 1 50 25 49 1 51 26 27 1 52 26 50 1 53 26 51 1 54 27 52 1 55 27 53 1