@MOLECULE 5-amino-8-(2-ethoxyethyl)-7-phenyl-3h-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3646 2.6624 0.0052 O.3 1 UNL11 -0.3857 2 N -2.2696 -1.1381 0.0726 N.ar 1 UNL11 -0.3326 3 N -3.7419 -1.0627 -0.1361 N.ar 1 UNL11 -0.3962 4 N -0.0454 -1.7512 0.7419 N.ar 1 UNL11 -0.5382 5 N -2.7576 0.4513 -1.4813 N.ar 1 UNL11 -0.4741 6 N -1.8642 -2.9162 1.6301 N.pl3 1 UNL11 -0.5935 7 C -0.3335 0.0337 -0.8754 C.ar 1 UNL11 -0.1842 8 C 0.1918 1.1561 -1.7012 C.3 1 UNL11 -0.2626 9 C -1.7379 -0.1642 -0.7962 C.ar 1 UNL11 0.3684 10 C 0.4607 -0.7973 -0.0974 C.ar 1 UNL11 0.2275 11 C 0.7419 2.2669 -0.7893 C.3 1 UNL11 -0.0441 12 C -1.3793 -1.9145 0.8216 C.ar 1 UNL11 0.4913 13 C 1.9352 -0.7084 -0.0815 C.ar 1 UNL11 -0.0042 14 C -3.9343 -0.0970 -1.0746 C.ar 1 UNL11 0.2109 15 C 2.5915 -0.3843 1.1081 C.ar 1 UNL11 -0.1229 16 C 2.6641 -0.9548 -1.2462 C.ar 1 UNL11 -0.1355 17 C -0.0249 3.0210 1.3371 C.3 1 UNL11 -0.0225 18 C 3.9809 -0.2884 1.1254 C.ar 1 UNL11 -0.1528 19 C 4.0535 -0.8525 -1.2230 C.ar 1 UNL11 -0.1510 20 C 4.7110 -0.5170 -0.0401 C.ar 1 UNL11 -0.1472 21 C -1.3745 3.1024 2.0448 C.3 1 UNL11 -0.4571 22 H -0.6245 1.5811 -2.3340 H 1 UNL11 0.1869 23 H 0.9770 0.8158 -2.4027 H 1 UNL11 0.1504 24 H 1.0564 3.1515 -1.3699 H 1 UNL11 0.1195 25 H 1.5883 1.9072 -0.1816 H 1 UNL11 0.1201 26 H -4.4117 -1.6525 0.3023 H 1 UNL11 0.2821 27 H -4.8885 0.2243 -1.4771 H 1 UNL11 0.1808 28 H 2.0140 -0.2226 2.0178 H 1 UNL11 0.1623 29 H 2.1494 -1.2355 -2.1640 H 1 UNL11 0.1600 30 H -1.2158 -3.4058 2.2212 H 1 UNL11 0.3233 31 H -2.8239 -2.9247 1.8938 H 1 UNL11 0.3038 32 H 0.6298 2.2581 1.7923 H 1 UNL11 0.1104 33 H 0.4965 3.9935 1.3174 H 1 UNL11 0.1097 34 H 4.4959 -0.0417 2.0504 H 1 UNL11 0.1476 35 H 4.6261 -1.0383 -2.1288 H 1 UNL11 0.1473 36 H 5.7955 -0.4392 -0.0252 H 1 UNL11 0.1445 37 H -1.2797 3.5305 3.0455 H 1 UNL11 0.1436 38 H -2.0755 3.7204 1.4667 H 1 UNL11 0.1614 39 H -1.8334 2.1098 2.1296 H 1 UNL11 0.1525 @BOND 1 1 11 1 2 1 17 1 3 2 3 ar 4 2 9 ar 5 2 12 ar 6 3 14 ar 7 3 26 1 8 4 10 ar 9 4 12 ar 10 5 9 ar 11 5 14 ar 12 6 12 1 13 6 30 1 14 6 31 1 15 7 8 1 16 7 9 ar 17 7 10 ar 18 8 11 1 19 8 22 1 20 8 23 1 21 10 13 1 22 11 24 1 23 11 25 1 24 13 15 ar 25 13 16 ar 26 14 27 1 27 15 18 ar 28 15 28 1 29 16 19 ar 30 16 29 1 31 17 21 1 32 17 32 1 33 17 33 1 34 18 20 ar 35 18 34 1 36 19 20 ar 37 19 35 1 38 20 36 1 39 21 37 1 40 21 38 1 41 21 39 1