@MOLECULE n-(3,5-dimethylphenyl)-2-{[5-(4-ethylphenyl)-1h-1,2,4-triazol-3-yl]sulfanyl}acetamide 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.2937 -2.6508 -0.0443 S.3 1 UNL1111111111 0.2214 2 O 4.1356 0.6929 0.5367 O.2 1 UNL1111111111 -0.4976 3 N 1.8728 0.4293 0.8065 N.am 1 UNL1111111111 -0.5723 4 N -0.2721 -3.2988 -1.3692 N.ar 1 UNL1111111111 -0.2377 5 N 0.5824 -2.1195 0.2972 N.ar 1 UNL1111111111 -0.4907 6 N 1.0693 -3.5387 -1.4009 N.ar 1 UNL1111111111 -0.2482 7 C -4.2729 -0.4997 0.4462 C.ar 1 UNL1111111111 0.0653 8 C -1.8733 -1.8230 -0.0691 C.ar 1 UNL1111111111 -0.0832 9 C -5.5172 0.2924 0.7096 C.3 1 UNL1111111111 -0.2815 10 C 1.4175 1.6612 0.2888 C.ar 1 UNL1111111111 0.2633 11 C -0.4844 2.9378 -0.4847 C.ar 1 UNL1111111111 0.1209 12 C 1.7067 3.9534 -0.3991 C.ar 1 UNL1111111111 0.1109 13 C -3.9476 -0.8755 -0.8608 C.ar 1 UNL1111111111 -0.1842 14 C -3.4048 -0.8099 1.4962 C.ar 1 UNL1111111111 -0.1834 15 C 2.2513 2.7641 0.0893 C.ar 1 UNL1111111111 -0.2818 16 C 0.0414 1.7464 0.0030 C.ar 1 UNL1111111111 -0.3196 17 C -2.7503 -1.5326 -1.1197 C.ar 1 UNL1111111111 -0.1117 18 C -2.2063 -1.4686 1.2413 C.ar 1 UNL1111111111 -0.0762 19 C 0.3446 4.0449 -0.6848 C.ar 1 UNL1111111111 -0.2849 20 C -0.5753 -2.4099 -0.3405 C.ar 1 UNL1111111111 0.2422 21 C -5.2246 1.7832 0.5230 C.3 1 UNL1111111111 -0.4265 22 C -1.9450 3.0319 -0.7802 C.3 1 UNL1111111111 -0.4624 23 C 2.6008 5.1303 -0.6037 C.3 1 UNL1111111111 -0.4595 24 C 3.1931 -0.0058 0.8262 C.2 1 UNL1111111111 0.5998 25 C 3.3626 -1.4358 1.3150 C.3 1 UNL1111111111 -0.4444 26 C 1.5828 -2.8034 -0.3837 C.ar 1 UNL1111111111 0.0904 27 H -6.3400 -0.0208 0.0357 H 1 UNL1111111111 0.1483 28 H -5.8991 0.1087 1.7344 H 1 UNL1111111111 0.1496 29 H -4.6256 -0.6390 -1.6787 H 1 UNL1111111111 0.1595 30 H -3.6566 -0.5220 2.5155 H 1 UNL1111111111 0.1617 31 H 3.3182 2.7003 0.3063 H 1 UNL1111111111 0.1952 32 H -0.6052 0.8871 0.1569 H 1 UNL1111111111 0.1618 33 H -2.4891 -1.7931 -2.1440 H 1 UNL1111111111 0.1526 34 H -1.5164 -1.6968 2.0577 H 1 UNL1111111111 0.1724 35 H -0.0716 4.9720 -1.0632 H 1 UNL1111111111 0.1535 36 H 1.1450 -0.2862 0.9363 H 1 UNL1111111111 0.3445 37 H -4.9098 2.0043 -0.5043 H 1 UNL1111111111 0.1490 38 H -6.1098 2.3923 0.7362 H 1 UNL1111111111 0.1453 39 H -4.4217 2.1194 1.1918 H 1 UNL1111111111 0.1532 40 H -2.1608 3.7479 -1.5842 H 1 UNL1111111111 0.1553 41 H -2.4976 3.3628 0.1116 H 1 UNL1111111111 0.1568 42 H -2.3685 2.0648 -1.0851 H 1 UNL1111111111 0.1568 43 H 2.8674 5.5885 0.3608 H 1 UNL1111111111 0.1620 44 H 2.1398 5.9117 -1.2206 H 1 UNL1111111111 0.1521 45 H 3.5423 4.8418 -1.0951 H 1 UNL1111111111 0.1644 46 H 2.6368 -1.6834 2.1159 H 1 UNL1111111111 0.1944 47 H 4.3724 -1.5399 1.7715 H 1 UNL1111111111 0.2026 48 H -0.8572 -3.7341 -2.0553 H 1 UNL1111111111 0.3405 @BOND 1 1 25 1 2 1 26 1 3 2 24 2 4 3 10 1 5 3 24 am 6 3 36 1 7 4 6 ar 8 4 20 ar 9 4 48 1 10 5 20 ar 11 5 26 ar 12 6 26 ar 13 7 9 1 14 7 13 ar 15 7 14 ar 16 8 17 ar 17 8 18 ar 18 8 20 1 19 9 21 1 20 9 27 1 21 9 28 1 22 10 15 ar 23 10 16 ar 24 11 16 ar 25 11 19 ar 26 11 22 1 27 12 15 ar 28 12 19 ar 29 12 23 1 30 13 17 ar 31 13 29 1 32 14 18 ar 33 14 30 1 34 15 31 1 35 16 32 1 36 17 33 1 37 18 34 1 38 19 35 1 39 21 37 1 40 21 38 1 41 21 39 1 42 22 40 1 43 22 41 1 44 22 42 1 45 23 43 1 46 23 44 1 47 23 45 1 48 24 25 1 49 25 46 1 50 25 47 1