@MOLECULE 2-(2-butyl-4-methyl-6-oxo-1-{[2'-(2h-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-n,n-dimethylethanethioamide 67 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.7290 -4.0094 1.1836 S.2 1 UNL1 -0.6145 2 O -2.1994 -0.8715 -2.3522 O.2 1 UNL1 -0.5714 3 N -2.3345 0.7299 -0.7594 N.ar 1 UNL1 -0.4602 4 N -3.0285 0.1685 1.4291 N.ar 1 UNL1 -0.5222 5 N -0.3526 -3.5368 -1.3915 N.am 1 UNL1 -0.2287 6 N 2.2524 -1.2780 0.9435 N.ar 1 UNL1 -0.2685 7 N 2.1131 0.4580 2.3610 N.ar 1 UNL1 -0.2366 8 N 1.2029 -1.3942 1.7826 N.ar 1 UNL1 -0.1127 9 N 1.1295 -0.3430 2.6262 N.ar 1 UNL1 -0.0227 10 C -2.6395 1.0739 0.5471 C.ar 1 UNL1 0.4330 11 C -2.5691 2.5008 1.0131 C.3 1 UNL1 -0.3010 12 C -1.7573 1.6916 -1.7231 C.3 1 UNL1 -0.0871 13 C -3.7968 3.2857 0.5348 C.3 1 UNL1 -0.2624 14 C -2.7222 -1.6046 -0.1533 C.ar 1 UNL1 -0.3472 15 C -2.4081 -0.6370 -1.1760 C.ar 1 UNL1 0.6024 16 C -3.0559 -1.1725 1.1128 C.ar 1 UNL1 0.3635 17 C -0.2606 1.7096 -1.5558 C.ar 1 UNL1 -0.0392 18 C -3.5927 4.7885 0.7626 C.3 1 UNL1 -0.2429 19 C -2.6315 -3.0366 -0.5554 C.3 1 UNL1 -0.2659 20 C 0.4872 0.6252 -2.0187 C.ar 1 UNL1 -0.1451 21 C 0.3687 2.7607 -0.8898 C.ar 1 UNL1 -0.1550 22 C -3.4546 -2.0480 2.2442 C.3 1 UNL1 -0.4471 23 C 2.4440 1.5357 -0.9504 C.ar 1 UNL1 -0.0219 24 C -4.8094 5.5772 0.2807 C.3 1 UNL1 -0.4435 25 C -1.2069 -3.5062 -0.3752 C.2 1 UNL1 0.3045 26 C 1.8402 0.5340 -1.7143 C.ar 1 UNL1 -0.1371 27 C 1.7236 2.6723 -0.5811 C.ar 1 UNL1 -0.1315 28 C 3.8109 1.3406 -0.4505 C.ar 1 UNL1 0.0054 29 C 4.0006 0.5160 0.6690 C.ar 1 UNL1 -0.0137 30 C 4.9073 1.9579 -1.0479 C.ar 1 UNL1 -0.1594 31 C 1.0610 -3.8917 -1.2011 C.3 1 UNL1 -0.2613 32 C -0.6816 -3.1514 -2.7664 C.3 1 UNL1 -0.2710 33 C 5.2792 0.3098 1.1838 C.ar 1 UNL1 -0.1115 34 C 6.1855 1.7506 -0.5307 C.ar 1 UNL1 -0.1208 35 C 2.8451 -0.1030 1.2984 C.ar 1 UNL1 0.1327 36 C 6.3719 0.9297 0.5798 C.ar 1 UNL1 -0.1534 37 H -2.5240 2.5176 2.1309 H 1 UNL1 0.1964 38 H -1.6232 2.9783 0.6866 H 1 UNL1 0.1713 39 H -2.0369 1.3701 -2.7615 H 1 UNL1 0.1881 40 H -2.2127 2.6963 -1.5833 H 1 UNL1 0.1563 41 H -4.0064 3.0896 -0.5333 H 1 UNL1 0.1405 42 H -4.6980 2.9364 1.0782 H 1 UNL1 0.1533 43 H -3.4147 4.9887 1.8369 H 1 UNL1 0.1392 44 H -2.6851 5.1377 0.2343 H 1 UNL1 0.1338 45 H -3.3233 -3.6681 0.0539 H 1 UNL1 0.1880 46 H -3.0011 -3.1716 -1.5993 H 1 UNL1 0.1719 47 H 0.0009 -0.1610 -2.5985 H 1 UNL1 0.1713 48 H -0.1915 3.6451 -0.5923 H 1 UNL1 0.1509 49 H -4.1311 -1.5305 2.9447 H 1 UNL1 0.1780 50 H -3.9389 -2.9785 1.9213 H 1 UNL1 0.1662 51 H -2.5652 -2.3387 2.8389 H 1 UNL1 0.2035 52 H -5.7185 5.2831 0.8179 H 1 UNL1 0.1453 53 H -4.9944 5.4225 -0.7882 H 1 UNL1 0.1435 54 H -4.6736 6.6532 0.4365 H 1 UNL1 0.1407 55 H 2.4214 -0.3295 -2.0354 H 1 UNL1 0.1636 56 H 2.2132 3.4679 -0.0203 H 1 UNL1 0.1629 57 H 4.7616 2.5993 -1.9152 H 1 UNL1 0.1603 58 H 1.1659 -4.8882 -0.7279 H 1 UNL1 0.1780 59 H 1.5744 -3.1547 -0.5460 H 1 UNL1 0.1912 60 H 1.6026 -3.9127 -2.1597 H 1 UNL1 0.1520 61 H -0.2248 -2.1723 -3.0150 H 1 UNL1 0.1757 62 H -0.3188 -3.9109 -3.4791 H 1 UNL1 0.1509 63 H -1.7699 -3.0305 -2.9314 H 1 UNL1 0.1822 64 H 5.4187 -0.3294 2.0558 H 1 UNL1 0.1656 65 H 7.0414 2.2362 -0.9967 H 1 UNL1 0.1491 66 H 7.3720 0.7733 0.9802 H 1 UNL1 0.1546 67 H 0.5452 -2.1921 1.7375 H 1 UNL1 0.3900 @BOND 1 62 32 1 2 61 32 1 3 63 32 1 4 32 5 1 5 39 12 1 6 47 20 1 7 2 15 2 8 60 31 1 9 55 26 1 10 20 26 ar 11 20 17 ar 12 57 30 1 13 12 40 1 14 12 17 1 15 12 3 1 16 26 23 ar 17 46 19 1 18 17 21 ar 19 5 31 1 20 5 25 1 21 31 58 1 22 31 59 1 23 15 3 ar 24 15 14 ar 25 30 34 ar 26 30 28 ar 27 65 34 1 28 23 27 ar 29 23 28 1 30 21 48 1 31 21 27 ar 32 53 24 1 33 3 10 ar 34 27 56 1 35 19 25 1 36 19 14 1 37 19 45 1 38 41 13 1 39 34 36 ar 40 28 29 ar 41 25 1 2 42 14 16 ar 43 44 18 1 44 24 54 1 45 24 18 1 46 24 52 1 47 13 18 1 48 13 11 1 49 13 42 1 50 10 11 1 51 10 4 ar 52 36 66 1 53 36 33 ar 54 29 33 ar 55 29 35 1 56 38 11 1 57 18 43 1 58 6 35 ar 59 6 8 ar 60 11 37 1 61 16 4 ar 62 16 22 1 63 33 64 1 64 35 7 ar 65 67 8 1 66 8 9 ar 67 50 22 1 68 22 51 1 69 22 49 1 70 7 9 ar