L6NQE2 -OEChem-05032300252D 60 63 0 1 0 0 0 0 0999 V2000 9.5878 0.0456 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6878 -2.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.6334 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7788 3.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 0.0456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0001 -2.6656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.1334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9128 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 -1.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 -1.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -2.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -3.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1033 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -4.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 -2.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 -3.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 3.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 3.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8569 1.5507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 2.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 3.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8569 3.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 4.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 1.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 1.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5897 -2.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 -1.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6605 -0.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 -0.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 2.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 2.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 -4.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -4.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 -4.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0439 -0.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -1.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1735 -1.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6166 -3.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 -4.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 -4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 2.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 27 2 0 0 0 0 4 10 1 0 0 0 0 4 29 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 40 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 41 1 0 0 0 0 8 16 2 0 0 0 0 8 18 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 44 1 0 0 0 0 10 32 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 45 1 0 0 0 0 24 28 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$