B79QHT -OEChem-04022106482D 44 46 0 0 0 0 0 0 0999 V2000 7.1279 1.1651 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.3603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0079 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2479 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0910 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$