@MOLECULE n-[(2z)-5-hydroxy-3-(pentyldisulfanyl)-2-penten-2-yl]-n-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide 52 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.0736 -2.1178 1.1229 C.3 1 UNL1 -0.3215 2 C 3.1588 -3.0375 0.5314 C.3 1 UNL1 0.0191 3 C -1.6617 -2.5938 -0.3296 C.3 1 UNL1 -0.3397 4 C -2.7461 -1.6650 -0.8644 C.3 1 UNL1 -0.2700 5 C -4.0425 -1.8563 -0.0631 C.3 1 UNL1 -0.2767 6 C -5.1715 -1.0006 -0.6526 C.3 1 UNL1 -0.2514 7 C 1.9653 2.5878 0.2820 C.3 1 UNL1 -0.0317 8 C -6.4168 -1.0589 0.2309 C.3 1 UNL1 -0.4403 9 C 3.6219 0.3381 1.6929 C.3 1 UNL1 -0.4643 10 C -3.6243 1.7203 1.3248 C.3 1 UNL1 -0.4792 11 H 2.6557 -4.7091 1.4703 H 1 UNL1 0.3128 12 H -1.5439 0.6763 2.5340 H 1 UNL1 0.3171 13 O 3.0234 2.3668 -2.2663 O.2 1 UNL1 -0.4874 14 O -0.2082 4.0208 -0.9556 O.2 1 UNL1 -0.4104 15 O 3.4151 -4.0968 1.4275 O.3 1 UNL1 -0.5491 16 C 2.6666 0.2221 0.5455 C.2 1 UNL1 0.1995 17 C 1.9388 -0.8885 0.3014 C.2 1 UNL1 -0.2088 18 C -2.1910 2.0103 1.0263 C.ar 1 UNL1 0.4405 19 C -0.4755 3.1543 -0.1631 C.ar 1 UNL1 0.5820 20 C 0.5187 2.3819 0.6077 C.ar 1 UNL1 -0.2832 21 C 3.0483 1.3598 -1.5981 C.2 1 UNL1 0.4844 22 C 0.1027 1.5244 1.5743 C.ar 1 UNL1 0.0868 23 S 0.8213 -0.8404 -1.0757 S.3 1 UNL1 0.0426 24 S -0.1380 -2.5597 -1.3412 S.3 1 UNL1 -0.0015 25 N -1.2500 1.3307 1.8278 N.ar 1 UNL1 -0.5073 26 N 2.5902 1.3793 -0.2799 N.am 1 UNL1 -0.5277 27 N -1.8413 2.8495 0.1040 N.ar 1 UNL1 -0.5415 28 H 3.4656 0.4064 -1.9483 H 1 UNL1 0.1389 29 H 1.1249 -2.6773 1.2368 H 1 UNL1 0.1538 30 H 2.3527 -1.8759 2.1740 H 1 UNL1 0.1657 31 H 2.8813 -3.4419 -0.4565 H 1 UNL1 0.1285 32 H 4.1384 -2.5285 0.4606 H 1 UNL1 0.1423 33 H -1.4417 -2.3739 0.7286 H 1 UNL1 0.1480 34 H -2.0053 -3.6489 -0.3603 H 1 UNL1 0.1671 35 H -2.4290 -0.6034 -0.8160 H 1 UNL1 0.1549 36 H -2.9431 -1.8608 -1.9389 H 1 UNL1 0.1578 37 H -4.3427 -2.9214 -0.0685 H 1 UNL1 0.1385 38 H -3.8786 -1.5999 0.9984 H 1 UNL1 0.1264 39 H -4.8387 0.0483 -0.7750 H 1 UNL1 0.1423 40 H -5.4157 -1.3520 -1.6741 H 1 UNL1 0.1408 41 H -7.2318 -0.4597 -0.1919 H 1 UNL1 0.1450 42 H -6.7874 -2.0851 0.3331 H 1 UNL1 0.1425 43 H -6.2183 -0.6800 1.2386 H 1 UNL1 0.1376 44 H 3.1049 0.3397 2.6621 H 1 UNL1 0.1583 45 H 4.3358 -0.5006 1.7073 H 1 UNL1 0.1706 46 H 4.2246 1.2588 1.6451 H 1 UNL1 0.1755 47 H 2.0730 3.4200 -0.4756 H 1 UNL1 0.2121 48 H 2.5311 2.9119 1.1865 H 1 UNL1 0.1404 49 H 0.7934 0.9459 2.1973 H 1 UNL1 0.1659 50 H -4.2834 2.2652 0.6189 H 1 UNL1 0.2042 51 H -3.8665 0.6518 1.2218 H 1 UNL1 0.1766 52 H -3.9091 2.0475 2.3350 H 1 UNL1 0.1735 @BOND 1 13 21 2 2 28 21 1 3 36 4 1 4 40 6 1 5 21 26 am 6 24 23 1 7 24 3 1 8 23 17 1 9 14 19 2 10 4 35 1 11 4 3 1 12 4 5 1 13 39 6 1 14 6 5 1 15 6 8 1 16 47 7 1 17 31 2 1 18 34 3 1 19 3 33 1 20 26 7 1 21 26 16 1 22 41 8 1 23 19 27 ar 24 19 20 ar 25 37 5 1 26 5 38 1 27 27 18 ar 28 8 42 1 29 8 43 1 30 7 20 1 31 7 48 1 32 17 16 2 33 17 1 1 34 32 2 1 35 2 1 1 36 2 15 1 37 16 9 1 38 20 22 ar 39 50 10 1 40 18 10 1 41 18 25 ar 42 1 29 1 43 1 30 1 44 51 10 1 45 10 52 1 46 15 11 1 47 22 25 ar 48 22 49 1 49 46 9 1 50 9 45 1 51 9 44 1 52 25 12 1