B78JWS -OEChem-04022105482D 42 44 0 0 0 0 0 0 0999 V2000 5.4641 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 2.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 1.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 2.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 21 1 0 0 0 0 2 38 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 23 2 0 0 0 0 5 26 1 0 0 0 0 5 42 1 0 0 0 0 6 26 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$