@MOLECULE 4-phenyl-5-tridecyl-2,4-dihydro-3h-1,2,4-triazole-3-thione 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.8632 0.9691 1.1808 S.2 1 UNL1111111111 -0.4365 2 N -4.6859 -0.2222 -0.0233 N.ar 1 UNL1111111111 -0.3847 3 N -5.2378 -2.3900 0.0707 N.ar 1 UNL1111111111 -0.2504 4 N -6.2335 -1.6291 0.6354 N.ar 1 UNL1111111111 -0.2914 5 C 3.1376 -0.8252 0.3157 C.3 1 UNL1111111111 -0.2732 6 C 1.9721 -1.1163 -0.6381 C.3 1 UNL1111111111 -0.2744 7 C 4.4517 -0.6788 -0.4615 C.3 1 UNL1111111111 -0.2735 8 C 0.6537 -1.2230 0.1393 C.3 1 UNL1111111111 -0.2689 9 C 5.6129 -0.3686 0.4917 C.3 1 UNL1111111111 -0.2716 10 C -0.4999 -1.5926 -0.8019 C.3 1 UNL1111111111 -0.2687 11 C 6.9267 -0.2168 -0.2855 C.3 1 UNL1111111111 -0.2723 12 C 8.0839 0.1134 0.6657 C.3 1 UNL1111111111 -0.2743 13 C -1.8234 -1.6234 -0.0315 C.3 1 UNL1111111111 -0.2652 14 C 9.3969 0.2678 -0.1119 C.3 1 UNL1111111111 -0.2722 15 C -3.0015 -1.8991 -0.9803 C.3 1 UNL1111111111 -0.2725 16 C 10.5563 0.5985 0.8374 C.3 1 UNL1111111111 -0.2509 17 C -4.2838 -1.5473 -0.3319 C.ar 1 UNL1111111111 0.2302 18 C 11.8669 0.7489 0.0651 C.3 1 UNL1111111111 -0.4397 19 C -3.9173 0.9511 -0.2701 C.ar 1 UNL1111111111 0.1679 20 C -5.9393 -0.2727 0.6069 C.ar 1 UNL1111111111 0.3575 21 C -3.6836 1.3438 -1.5920 C.ar 1 UNL1111111111 -0.1740 22 C -3.3975 1.6705 0.8105 C.ar 1 UNL1111111111 -0.1550 23 C -2.8917 2.4639 -1.8278 C.ar 1 UNL1111111111 -0.1244 24 C -2.6134 2.7916 0.5529 C.ar 1 UNL1111111111 -0.1209 25 C -2.3549 3.1825 -0.7602 C.ar 1 UNL1111111111 -0.1402 26 H 3.2279 -1.6364 1.0623 H 1 UNL1111111111 0.1373 27 H 2.9342 0.0967 0.8917 H 1 UNL1111111111 0.1369 28 H 2.1638 -2.0525 -1.1944 H 1 UNL1111111111 0.1367 29 H 1.8986 -0.3189 -1.4009 H 1 UNL1111111111 0.1359 30 H 4.6635 -1.6055 -1.0266 H 1 UNL1111111111 0.1367 31 H 4.3581 0.1230 -1.2169 H 1 UNL1111111111 0.1361 32 H 0.4383 -0.2633 0.6468 H 1 UNL1111111111 0.1386 33 H 0.7455 -1.9779 0.9425 H 1 UNL1111111111 0.1397 34 H 5.7096 -1.1722 1.2454 H 1 UNL1111111111 0.1370 35 H 5.3999 0.5561 1.0597 H 1 UNL1111111111 0.1364 36 H -0.5557 -0.8597 -1.6294 H 1 UNL1111111111 0.1386 37 H -0.3067 -2.5738 -1.2742 H 1 UNL1111111111 0.1407 38 H 7.1466 -1.1467 -0.8432 H 1 UNL1111111111 0.1367 39 H 6.8261 0.5769 -1.0490 H 1 UNL1111111111 0.1362 40 H -1.7901 -2.3945 0.7625 H 1 UNL1111111111 0.1522 41 H -1.9683 -0.6582 0.4941 H 1 UNL1111111111 0.1494 42 H 8.1864 -0.6814 1.4278 H 1 UNL1111111111 0.1367 43 H 7.8626 1.0424 1.2234 H 1 UNL1111111111 0.1363 44 H 9.6192 -0.6607 -0.6698 H 1 UNL1111111111 0.1366 45 H 9.2954 1.0619 -0.8748 H 1 UNL1111111111 0.1363 46 H -3.0039 -2.9720 -1.2828 H 1 UNL1111111111 0.1832 47 H -2.8789 -1.3259 -1.9267 H 1 UNL1111111111 0.1705 48 H 10.6572 -0.1947 1.6021 H 1 UNL1111111111 0.1338 49 H 10.3364 1.5294 1.3933 H 1 UNL1111111111 0.1336 50 H 11.8034 1.5496 -0.6801 H 1 UNL1111111111 0.1423 51 H 12.1279 -0.1742 -0.4644 H 1 UNL1111111111 0.1424 52 H 12.6983 0.9895 0.7367 H 1 UNL1111111111 0.1404 53 H -7.0514 -2.0963 0.9905 H 1 UNL1111111111 0.3651 54 H -4.1255 0.7918 -2.4192 H 1 UNL1111111111 0.1670 55 H -3.6130 1.3661 1.8354 H 1 UNL1111111111 0.1784 56 H -2.6979 2.7821 -2.8515 H 1 UNL1111111111 0.1570 57 H -2.2053 3.3665 1.3843 H 1 UNL1111111111 0.1603 58 H -1.7372 4.0585 -0.9531 H 1 UNL1111111111 0.1542 @BOND 1 1 20 2 2 2 17 ar 3 2 19 1 4 2 20 ar 5 3 4 ar 6 3 17 ar 7 4 20 ar 8 4 53 1 9 5 6 1 10 5 7 1 11 5 26 1 12 5 27 1 13 6 8 1 14 6 28 1 15 6 29 1 16 7 9 1 17 7 30 1 18 7 31 1 19 8 10 1 20 8 32 1 21 8 33 1 22 9 11 1 23 9 34 1 24 9 35 1 25 10 13 1 26 10 36 1 27 10 37 1 28 11 12 1 29 11 38 1 30 11 39 1 31 12 14 1 32 12 42 1 33 12 43 1 34 13 15 1 35 13 40 1 36 13 41 1 37 14 16 1 38 14 44 1 39 14 45 1 40 15 17 1 41 15 46 1 42 15 47 1 43 16 18 1 44 16 48 1 45 16 49 1 46 18 50 1 47 18 51 1 48 18 52 1 49 19 21 ar 50 19 22 ar 51 21 23 ar 52 21 54 1 53 22 24 ar 54 22 55 1 55 23 25 ar 56 23 56 1 57 24 25 ar 58 24 57 1 59 25 58 1