@MOLECULE n-[(2z)-3-(hexyldisulfanyl)-5-hydroxy-2-penten-2-yl]-n-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide 55 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.6072 1.2242 0.4450 S.3 1 UNL1 -0.0453 2 S 0.1001 -0.3827 -0.6305 S.3 1 UNL1 -0.0067 3 O 2.5216 -2.8990 0.5417 O.3 1 UNL1 -0.5515 4 O -3.1750 0.3023 2.1756 O.2 1 UNL1 -0.5195 5 O -3.0236 -1.3160 -2.9679 O.2 1 UNL1 -0.5271 6 N -2.6261 -1.7721 -0.7942 N.am 1 UNL1 -0.5140 7 N -2.6651 2.2790 1.2193 N.ar 1 UNL1 -0.5564 8 N -2.8514 2.6133 -1.1203 N.ar 1 UNL1 -0.4974 9 C 4.7701 0.8850 0.4639 C.3 1 UNL1 -0.2771 10 C 5.7866 0.7069 -0.6702 C.3 1 UNL1 -0.2684 11 C 3.3438 0.9472 -0.1013 C.3 1 UNL1 -0.2684 12 C 7.2136 0.6260 -0.1119 C.3 1 UNL1 -0.2498 13 C 2.3379 1.0571 1.0398 C.3 1 UNL1 -0.3097 14 C -1.7362 -2.1793 0.2407 C.2 1 UNL1 0.2548 15 C -0.5015 -1.6661 0.4241 C.2 1 UNL1 -0.2199 16 C -3.7939 -0.9720 -0.3747 C.3 1 UNL1 -0.0185 17 C 8.2282 0.4324 -1.2390 C.3 1 UNL1 -0.4403 18 C 0.4064 -2.1728 1.4903 C.3 1 UNL1 -0.3159 19 C -3.4116 0.4624 -0.2023 C.ar 1 UNL1 -0.3400 20 C -2.3119 -3.2401 1.1273 C.3 1 UNL1 -0.4651 21 C 1.2672 -3.3498 1.0016 C.3 1 UNL1 0.0177 22 C -3.1047 0.9166 1.1329 C.ar 1 UNL1 0.5963 23 C -2.2811 -1.8072 -2.1439 C.2 1 UNL1 0.4889 24 C -3.2742 1.3132 -1.2663 C.ar 1 UNL1 0.1834 25 C -2.5350 3.0589 0.0863 C.ar 1 UNL1 0.4471 26 C -2.0297 4.4525 0.2540 C.3 1 UNL1 -0.4682 27 H 4.9958 1.8033 1.0362 H 1 UNL1 0.1360 28 H 4.8577 0.0468 1.1819 H 1 UNL1 0.1429 29 H 5.7080 1.5442 -1.3880 H 1 UNL1 0.1363 30 H 5.5568 -0.2096 -1.2461 H 1 UNL1 0.1400 31 H 3.2526 1.8060 -0.7970 H 1 UNL1 0.1514 32 H 3.1617 0.0457 -0.7206 H 1 UNL1 0.1484 33 H 7.2896 -0.2081 0.6116 H 1 UNL1 0.1365 34 H 7.4511 1.5439 0.4576 H 1 UNL1 0.1318 35 H 2.5212 1.9709 1.6413 H 1 UNL1 0.1654 36 H 2.4424 0.2029 1.7355 H 1 UNL1 0.1617 37 H -4.2049 -1.3941 0.5752 H 1 UNL1 0.1651 38 H -4.5924 -1.0826 -1.1521 H 1 UNL1 0.1724 39 H 8.0328 -0.4888 -1.7996 H 1 UNL1 0.1440 40 H 9.2494 0.3688 -0.8475 H 1 UNL1 0.1400 41 H 8.1998 1.2644 -1.9512 H 1 UNL1 0.1415 42 H -0.1744 -2.4788 2.3891 H 1 UNL1 0.1644 43 H 1.0818 -1.3883 1.8949 H 1 UNL1 0.1706 44 H -2.6022 -2.8094 2.1026 H 1 UNL1 0.1836 45 H -3.2143 -3.7028 0.7005 H 1 UNL1 0.1722 46 H -1.5968 -4.0510 1.3193 H 1 UNL1 0.1640 47 H 1.5464 -4.0230 1.8347 H 1 UNL1 0.1376 48 H 0.7731 -3.9329 0.2059 H 1 UNL1 0.1178 49 H -3.4763 1.0096 -2.3091 H 1 UNL1 0.2051 50 H -1.3711 -2.3621 -2.4083 H 1 UNL1 0.1399 51 H -2.4020 2.6293 2.1392 H 1 UNL1 0.3294 52 H -1.9347 4.9569 -0.7276 H 1 UNL1 0.1994 53 H -1.0302 4.4732 0.7159 H 1 UNL1 0.1798 54 H -2.7066 5.0672 0.8647 H 1 UNL1 0.1732 55 H 2.4188 -2.3189 -0.2393 H 1 UNL1 0.3208 @BOND 1 5 23 2 2 50 23 1 3 49 24 1 4 23 6 am 5 41 17 1 6 39 17 1 7 29 10 1 8 24 8 ar 9 24 19 ar 10 30 10 1 11 17 40 1 12 17 12 1 13 38 16 1 14 8 25 ar 15 31 11 1 16 6 16 1 17 6 14 1 18 52 26 1 19 32 11 1 20 10 12 1 21 10 9 1 22 2 15 1 23 2 1 1 24 16 19 1 25 16 37 1 26 55 3 1 27 19 22 ar 28 12 34 1 29 12 33 1 30 11 9 1 31 11 13 1 32 25 26 1 33 25 7 ar 34 48 21 1 35 14 15 2 36 14 20 1 37 26 53 1 38 26 54 1 39 15 18 1 40 1 13 1 41 9 27 1 42 9 28 1 43 3 21 1 44 45 20 1 45 21 18 1 46 21 47 1 47 13 35 1 48 13 36 1 49 20 46 1 50 20 44 1 51 22 7 ar 52 22 4 2 53 7 51 1 54 18 43 1 55 18 42 1