D0R2AT -OEChem-04152122312D 39 41 0 1 0 0 0 0 0999 V2000 7.3116 -1.1351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2997 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 1.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.2284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 0.2662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 -1.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6109 -0.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -1.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6342 -1.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9484 -1.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0647 -0.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9275 0.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 2.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 2 39 1 0 0 0 0 3 21 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 6 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 15 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$