@MOLECULE 3-(3-ethylphenyl)-5-(3-methoxyphenyl)-1h-1,2,4-triazole 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1904 -2.3006 -0.1515 O.3 1 UNL11 -0.3002 2 N 0.0889 0.3863 -0.0484 N.ar 1 UNL11 -0.4168 3 N -0.5277 2.5112 0.1535 N.ar 1 UNL11 -0.2343 4 N 0.8268 2.5283 0.1199 N.ar 1 UNL11 -0.2743 5 C 4.1470 -1.0757 -0.2857 C.ar 1 UNL11 0.0097 6 C 2.5770 0.7512 -0.0859 C.ar 1 UNL11 -0.0132 7 C 4.4213 -2.5456 -0.3889 C.3 1 UNL11 -0.2647 8 C 2.8322 -0.6180 -0.2050 C.ar 1 UNL11 -0.1397 9 C 1.2044 1.2223 -0.0047 C.ar 1 UNL11 0.2054 10 C -0.9891 1.1942 0.0497 C.ar 1 UNL11 0.2068 11 C -2.3872 0.7920 0.0490 C.ar 1 UNL11 0.0325 12 C 5.2034 -0.1625 -0.2494 C.ar 1 UNL11 -0.1610 13 C 3.6365 1.6639 -0.0465 C.ar 1 UNL11 -0.1377 14 C 4.9466 1.2016 -0.1291 C.ar 1 UNL11 -0.1491 15 C 4.5886 -3.1406 1.0123 C.3 1 UNL11 -0.4289 16 C -2.6900 -0.5619 -0.0513 C.ar 1 UNL11 -0.2019 17 C -3.4145 1.7433 0.1466 C.ar 1 UNL11 -0.2288 18 C -4.0387 -0.9547 -0.0500 C.ar 1 UNL11 0.2473 19 C -4.7416 1.3295 0.1453 C.ar 1 UNL11 -0.0675 20 C -5.0706 -0.0227 0.0481 C.ar 1 UNL11 -0.2832 21 C -5.5183 -2.8063 -0.1602 C.3 1 UNL11 -0.2072 22 H 5.3288 -2.7367 -0.9952 H 1 UNL11 0.1419 23 H 3.5989 -3.0638 -0.9240 H 1 UNL11 0.1497 24 H 1.9966 -1.3222 -0.2314 H 1 UNL11 0.1814 25 H 6.2296 -0.5175 -0.3117 H 1 UNL11 0.1489 26 H 3.4332 2.7314 0.0480 H 1 UNL11 0.1699 27 H 5.7724 1.9097 -0.0991 H 1 UNL11 0.1511 28 H -1.0221 3.3753 0.2406 H 1 UNL11 0.3358 29 H 5.3945 -2.6429 1.5638 H 1 UNL11 0.1451 30 H 4.8248 -4.2083 0.9670 H 1 UNL11 0.1390 31 H 3.6714 -3.0246 1.6034 H 1 UNL11 0.1526 32 H -1.8990 -1.3136 -0.1303 H 1 UNL11 0.2039 33 H -3.1881 2.8013 0.2232 H 1 UNL11 0.1494 34 H -5.5390 2.0695 0.2220 H 1 UNL11 0.1515 35 H -6.1112 -0.3270 0.0506 H 1 UNL11 0.1618 36 H -5.3513 -3.8886 -0.2550 H 1 UNL11 0.1560 37 H -6.0764 -2.4301 -1.0228 H 1 UNL11 0.1344 38 H -6.0301 -2.5804 0.7802 H 1 UNL11 0.1344 @BOND 1 1 18 1 2 1 21 1 3 2 9 ar 4 2 10 ar 5 3 4 ar 6 3 10 ar 7 3 28 1 8 4 9 ar 9 5 7 1 10 5 8 ar 11 5 12 ar 12 6 8 ar 13 6 9 1 14 6 13 ar 15 7 15 1 16 7 22 1 17 7 23 1 18 8 24 1 19 10 11 1 20 11 16 ar 21 11 17 ar 22 12 14 ar 23 12 25 1 24 13 14 ar 25 13 26 1 26 14 27 1 27 15 29 1 28 15 30 1 29 15 31 1 30 16 18 ar 31 16 32 1 32 17 19 ar 33 17 33 1 34 18 20 ar 35 19 20 ar 36 19 34 1 37 20 35 1 38 21 36 1 39 21 37 1 40 21 38 1