B57JTL -OEChem-04022106442D 37 39 0 1 0 0 0 0 0999 V2000 6.3301 1.7327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 0.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.7327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7041 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 2.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 2.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 -0.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.3043 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 9 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 6 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 6 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M END $$$$