IYR - Ideal conformer RDKit 3D 24 24 0 0 0 0 0 0 0 0999 V2000 0.9920 1.1940 3.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.4090 3.4060 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0980 -0.8940 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.5780 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.4440 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.1500 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 0.0590 -2.6840 I 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 0.0000 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.2850 -2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -0.1390 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -0.4280 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.0930 4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.0280 5.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.0510 4.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 1.2920 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.6260 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 0.9840 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.4680 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -1.4760 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.5620 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.5610 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.0210 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.5370 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -0.2540 5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 15 1 0 1 16 1 0 2 3 1 0 2 12 1 0 2 17 1 6 3 4 1 0 3 18 1 0 3 19 1 0 4 5 2 0 4 11 1 0 5 6 1 0 5 20 1 0 6 7 1 0 6 8 2 0 8 9 1 0 8 10 1 0 9 21 1 0 10 11 2 0 10 22 1 0 11 23 1 0 12 13 2 0 12 14 1 0 14 24 1 0 M END