B0MIT9 -OEChem-04012116572D 47 50 0 0 0 0 0 0 0999 V2000 7.1962 1.7327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 3.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 4.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 5.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 4.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 47 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 10 2 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 13 2 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 33 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$