L9DKH3 -OEChem-05022323332D 40 42 0 1 0 0 0 0 0999 V2000 2.9511 2.1639 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 3.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.5761 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2601 3.1149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -2.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 3.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -3.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 1.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 2.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 3.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 1.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 0.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -2.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -3.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 -2.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -3.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -4.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -3.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 37 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$