@MOLECULE 5-{4-[(4-~11~c)butylsulfanyl]-1,2,5-thiadiazol-3-yl}-1-methyl-1,2,3,6-tetrahydropyridine 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.4271 0.8264 -1.6836 S.3 1 UNL1 0.0807 2 S 2.6475 -2.0118 1.1829 S.2 1 UNL1 0.5305 3 N -3.0469 -0.0778 0.3701 N.3 1 UNL1 -0.3905 4 N 0.9300 -2.1225 0.9608 N.ar 1 UNL1 -0.4417 5 N 2.8299 -0.7199 0.0388 N.ar 1 UNL1 -0.4238 6 C -3.6188 -0.9926 -0.6470 C.3 1 UNL1 -0.1099 7 C -1.7199 -0.5536 0.8378 C.3 1 UNL1 -0.1157 8 C -2.7178 -0.9582 -1.8980 C.3 1 UNL1 -0.2756 9 C -0.8488 -1.0212 -0.2959 C.2 1 UNL1 -0.0631 10 C -1.2977 -1.2319 -1.5389 C.2 1 UNL1 -0.0998 11 C 0.5455 -1.2370 0.0795 C.ar 1 UNL1 0.1031 12 C -3.9623 0.0593 1.5243 C.3 1 UNL1 -0.2829 13 C 1.3328 2.6207 0.4967 C.3 1 UNL1 -0.2701 14 C 1.6658 -0.4216 -0.4615 C.ar 1 UNL1 -0.0125 15 C 2.0306 2.3356 -0.8281 C.3 1 UNL1 -0.3100 16 C -0.1590 2.9394 0.3349 C.3 1 UNL1 -0.2549 17 C -0.7718 3.3326 1.6793 C.3 1 UNL1 -0.4352 18 H -4.6364 -0.6316 -0.9072 H 1 UNL1 0.1327 19 H -3.7210 -2.0359 -0.2813 H 1 UNL1 0.1184 20 H -1.7906 -1.3743 1.5924 H 1 UNL1 0.1433 21 H -1.2376 0.3176 1.3474 H 1 UNL1 0.1567 22 H -2.7776 0.0504 -2.3694 H 1 UNL1 0.1721 23 H -3.0901 -1.6776 -2.6511 H 1 UNL1 0.1439 24 H -0.6592 -1.5907 -2.3436 H 1 UNL1 0.1546 25 H -3.5184 0.7582 2.2530 H 1 UNL1 0.1474 26 H -4.1919 -0.8834 2.0426 H 1 UNL1 0.1204 27 H -4.9075 0.5086 1.1778 H 1 UNL1 0.1444 28 H 1.4644 1.7776 1.2033 H 1 UNL1 0.1427 29 H 1.8381 3.4807 0.9868 H 1 UNL1 0.1447 30 H 1.8710 3.1638 -1.5464 H 1 UNL1 0.1664 31 H 3.1242 2.2500 -0.6737 H 1 UNL1 0.1656 32 H -0.3006 3.7528 -0.4004 H 1 UNL1 0.1367 33 H -0.7085 2.0685 -0.0796 H 1 UNL1 0.1594 34 H -0.3087 4.2377 2.0858 H 1 UNL1 0.1386 35 H -1.8461 3.5269 1.5754 H 1 UNL1 0.1449 36 H -0.6553 2.5364 2.4223 H 1 UNL1 0.1387 @BOND 1 23 8 1 2 22 8 1 3 24 10 1 4 8 10 1 5 8 6 1 6 1 15 1 7 1 14 1 8 30 15 1 9 10 9 2 10 18 6 1 11 15 31 1 12 15 13 1 13 6 19 1 14 6 3 1 15 14 5 ar 16 14 11 ar 17 32 16 1 18 9 11 1 19 9 7 1 20 33 16 1 21 5 2 ar 22 11 4 ar 23 16 13 1 24 16 17 1 25 3 7 1 26 3 12 1 27 13 29 1 28 13 28 1 29 7 21 1 30 7 20 1 31 4 2 ar 32 27 12 1 33 12 26 1 34 12 25 1 35 35 17 1 36 17 34 1 37 17 36 1