B1DTQ3 -OEChem-04012118502D 45 48 0 1 0 0 0 0 0999 V2000 7.0479 3.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.4775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.0226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.0225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5298 0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 3.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -4.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0517 4.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -0.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -1.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 4.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -5.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 -3.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -3.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 -5.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6717 4.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0541 5.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4317 4.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$