D0J5TS -OEChem-04152109102D 79 83 0 1 0 0 0 0 0999 V2000 8.1962 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6962 -3.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1962 -0.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6962 -1.6670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.1990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2320 2.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4641 1.1990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3301 0.6990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1962 -0.8010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.3010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6962 -1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1962 -2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 -1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6962 -3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6962 -1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 -4.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1962 -2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 -4.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6753 -5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7170 -5.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2307 -4.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1962 -0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 2.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 2.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 1.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1135 -1.8790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8038 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -1.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 -0.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 2.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 3.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5415 -4.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8162 -2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3633 -5.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0290 -5.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 -4.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8507 -4.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2236 -3.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1962 -1.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8162 -0.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1962 -0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 18 1 0 0 0 0 3 53 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 24 1 0 0 0 0 5 64 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 26 2 0 0 0 0 9 31 2 0 0 0 0 10 32 2 0 0 0 0 11 33 2 0 0 0 0 12 39 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 27 1 0 0 0 0 14 59 1 0 0 0 0 15 25 1 0 0 0 0 15 31 1 0 0 0 0 15 63 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 27 30 2 3 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 41 1 0 0 0 0 38 42 2 0 0 0 0 39 41 2 0 0 0 0 40 43 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 44 2 0 0 0 0 43 72 1 0 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 M END $$$$