D01JJR -OEChem-10101305032D 84 87 0 1 0 0 0 0 0999 V2000 3.6516 1.5147 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1393 -0.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1091 2.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8144 3.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 -0.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 0.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 3.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 4.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 1.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 3.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8221 -0.4768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7237 1.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1593 3.2882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 0.9320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3221 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3221 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9456 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7231 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9212 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8221 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 2.3326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4290 2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6881 -1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7738 1.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6881 -2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1188 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4202 -1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8491 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4202 -2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8394 4.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 3.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2862 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5447 4.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4636 0.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 3.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2862 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1523 -2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1523 -4.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0183 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0183 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2602 0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4601 2.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7635 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8807 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1842 2.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5042 0.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 1.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 -0.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3431 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 -1.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6101 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2947 1.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5548 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1512 -3.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 -0.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 0.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 -4.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9571 -1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 3.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 5.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 5.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9522 4.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7493 -4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1523 -2.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1523 -5.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5552 -3.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5552 -4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 4.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -0.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6565 -1.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 -1.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 19 2 0 0 0 0 3 22 2 0 0 0 0 4 35 2 0 0 0 0 5 40 1 0 0 0 0 5 48 1 0 0 0 0 6 40 2 0 0 0 0 7 41 1 0 0 0 0 7 80 1 0 0 0 0 8 42 1 0 0 0 0 8 81 1 0 0 0 0 9 41 2 0 0 0 0 10 42 2 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 14 12 1 1 0 0 0 12 22 1 0 0 0 0 12 58 1 0 0 0 0 21 13 1 6 0 0 0 13 35 1 0 0 0 0 13 64 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 20 23 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 61 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 27 31 2 0 0 0 0 27 66 1 0 0 0 0 28 34 1 0 0 0 0 28 67 1 0 0 0 0 29 36 2 0 0 0 0 29 68 1 0 0 0 0 30 33 2 0 0 0 0 30 69 1 0 0 0 0 31 33 1 0 0 0 0 31 70 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 40 1 0 0 0 0 35 39 1 0 0 0 0 36 71 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 2 0 0 0 0 38 44 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 43 45 1 0 0 0 0 43 75 1 0 0 0 0 44 46 2 0 0 0 0 44 76 1 0 0 0 0 45 47 2 0 0 0 0 45 77 1 0 0 0 0 46 47 1 0 0 0 0 46 78 1 0 0 0 0 47 79 1 0 0 0 0 48 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 M END $$$$