EXO0452 -OEChem-04222010172D 53 56 0 0 0 0 0 0 0999 V2000 6.3301 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1601 2.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 3.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 3.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1111 2.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9974 2.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 2.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4432 4.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9376 3.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6812 4.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 4.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1473 4.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 13 3 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 43 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 4 46 1 0 0 0 0 5 21 1 0 0 0 0 5 26 2 0 0 0 0 6 29 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$