@MOLECULE 2,5-dibutyl-4-{[2'-(2h-tetrazol-5-yl)-4-biphenylyl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one 61 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.0299 2.2696 -1.9460 O.2 1 UNL1 -0.4838 2 N -2.7835 0.1723 -0.8979 N.ar 1 UNL1 -0.4601 3 N -2.7478 2.0252 0.3948 N.ar 1 UNL1 -0.2879 4 N -2.4466 0.9402 1.1989 N.ar 1 UNL1 -0.3373 5 N 1.0136 -0.3181 1.3377 N.ar 1 UNL1 -0.2539 6 N 2.5205 1.0092 2.3407 N.ar 1 UNL1 -0.2372 7 N 0.4454 0.4823 2.2666 N.ar 1 UNL1 -0.1308 8 N 1.3683 1.2909 2.8451 N.ar 1 UNL1 -0.0177 9 C -2.5148 -0.1623 0.4514 C.ar 1 UNL1 0.2641 10 C -2.3699 -1.5343 0.9911 C.3 1 UNL1 -0.2791 11 C -2.3340 -0.6200 -2.0482 C.3 1 UNL1 -0.0621 12 C -2.2512 3.3440 0.8041 C.3 1 UNL1 -0.0562 13 C -2.8120 1.6064 -0.9668 C.ar 1 UNL1 0.6134 14 C -3.6581 -2.3424 0.7825 C.3 1 UNL1 -0.2518 15 C -0.7275 3.5173 0.7361 C.3 1 UNL1 -0.3085 16 C -0.8405 -0.8065 -1.9848 C.ar 1 UNL1 -0.0539 17 C -3.4670 -3.7831 1.2708 C.3 1 UNL1 -0.2466 18 C -0.2148 3.7058 -0.6943 C.3 1 UNL1 -0.2498 19 C -0.3056 -2.0360 -1.6006 C.ar 1 UNL1 -0.1453 20 C -0.0015 0.2892 -2.1938 C.ar 1 UNL1 -0.1432 21 C 1.8467 -0.9872 -1.3239 C.ar 1 UNL1 -0.0129 22 C -4.7399 -4.5991 1.0504 C.3 1 UNL1 -0.4438 23 C 1.0418 -2.1266 -1.2626 C.ar 1 UNL1 -0.1269 24 C 1.3463 0.2013 -1.8612 C.ar 1 UNL1 -0.1419 25 C 1.3124 3.6674 -0.7248 C.3 1 UNL1 -0.4382 26 C 3.1964 -1.0208 -0.7449 C.ar 1 UNL1 0.0149 27 C 3.4134 -0.5505 0.5605 C.ar 1 UNL1 -0.0317 28 C 4.2654 -1.5216 -1.4876 C.ar 1 UNL1 -0.1639 29 C 4.7036 -0.5806 1.1023 C.ar 1 UNL1 -0.1036 30 C 5.5454 -1.5529 -0.9395 C.ar 1 UNL1 -0.1130 31 C 2.3373 -0.0034 1.3659 C.ar 1 UNL1 0.1468 32 C 5.7641 -1.0814 0.3541 C.ar 1 UNL1 -0.1592 33 H -2.1254 -1.4941 2.0778 H 1 UNL1 0.1742 34 H -1.4983 -2.0459 0.5218 H 1 UNL1 0.1828 35 H -2.8798 -1.5926 -2.0442 H 1 UNL1 0.1585 36 H -2.6441 -0.0853 -2.9833 H 1 UNL1 0.1806 37 H -2.7626 4.0899 0.1471 H 1 UNL1 0.1659 38 H -2.6075 3.5193 1.8493 H 1 UNL1 0.1632 39 H -4.4954 -1.8613 1.3253 H 1 UNL1 0.1501 40 H -3.9543 -2.3365 -0.2831 H 1 UNL1 0.1420 41 H -0.2251 2.6550 1.2063 H 1 UNL1 0.1475 42 H -0.4342 4.3899 1.3543 H 1 UNL1 0.1558 43 H -3.1957 -3.7882 2.3444 H 1 UNL1 0.1384 44 H -2.6178 -4.2571 0.7425 H 1 UNL1 0.1355 45 H -0.6247 2.9225 -1.3599 H 1 UNL1 0.1388 46 H -0.5823 4.6640 -1.1095 H 1 UNL1 0.1427 47 H -0.9410 -2.9171 -1.5314 H 1 UNL1 0.1525 48 H -0.4081 1.2233 -2.5845 H 1 UNL1 0.1664 49 H -5.0104 -4.6470 -0.0103 H 1 UNL1 0.1432 50 H -5.5925 -4.1675 1.5875 H 1 UNL1 0.1455 51 H -4.6193 -5.6288 1.4047 H 1 UNL1 0.1399 52 H 1.4585 -3.0684 -0.9105 H 1 UNL1 0.1577 53 H 2.0011 1.0629 -1.9856 H 1 UNL1 0.1633 54 H 1.6997 2.7057 -0.3686 H 1 UNL1 0.1418 55 H 1.6936 3.8236 -1.7401 H 1 UNL1 0.1441 56 H 1.7480 4.4451 -0.0866 H 1 UNL1 0.1477 57 H 4.0925 -1.8846 -2.4999 H 1 UNL1 0.1622 58 H 4.8738 -0.2019 2.1133 H 1 UNL1 0.1744 59 H 6.3768 -1.9443 -1.5235 H 1 UNL1 0.1498 60 H 6.7655 -1.1018 0.7808 H 1 UNL1 0.1561 61 H -0.5670 0.6219 2.3023 H 1 UNL1 0.3804 @BOND 1 36 11 1 2 48 20 1 3 57 28 1 4 20 16 ar 5 20 24 ar 6 11 35 1 7 11 16 1 8 11 2 1 9 53 24 1 10 16 19 ar 11 1 13 2 12 24 21 ar 13 55 25 1 14 19 47 1 15 19 23 ar 16 59 30 1 17 28 30 ar 18 28 26 ar 19 45 18 1 20 21 23 ar 21 21 26 1 22 23 52 1 23 46 18 1 24 13 2 ar 25 13 3 ar 26 30 32 ar 27 2 9 ar 28 26 27 ar 29 25 18 1 30 25 54 1 31 25 56 1 32 18 15 1 33 40 14 1 34 49 22 1 35 37 12 1 36 32 60 1 37 32 29 ar 38 3 12 1 39 3 4 ar 40 9 10 1 41 9 4 ar 42 34 10 1 43 27 29 ar 44 27 31 1 45 15 12 1 46 15 41 1 47 15 42 1 48 44 17 1 49 14 10 1 50 14 17 1 51 14 39 1 52 12 38 1 53 10 33 1 54 22 17 1 55 22 51 1 56 22 50 1 57 29 58 1 58 17 43 1 59 5 31 ar 60 5 7 ar 61 31 6 ar 62 7 61 1 63 7 8 ar 64 6 8 ar