B2MC0D -OEChem-04012118242D 53 56 0 1 0 0 0 0 0999 V2000 8.9282 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 45 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 16 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 51 1 0 0 0 0 25 53 1 0 0 0 0 M END $$$$