BS4XD5 -OEChem-04022100412D 55 58 0 0 0 0 0 0 0999 V2000 8.0437 -2.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -0.9900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1604 -3.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 1.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 4.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -0.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -4.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 -4.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 -5.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6426 -5.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4004 -1.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -0.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -0.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2444 -1.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 0.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 1.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 1.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 -3.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 -4.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -4.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -3.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7025 -1.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -2.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0348 -5.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7003 -5.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5706 -5.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -5.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 3.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 25 1 0 0 0 0 2 27 1 0 0 0 0 3 26 1 0 0 0 0 3 28 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 24 1 0 0 0 0 8 21 1 0 0 0 0 8 24 2 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$