B3C0QR -OEChem-04022100252D 58 60 0 1 0 0 0 0 0999 V2000 6.3301 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 -1.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -2.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 3.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6029 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1029 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -3.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -3.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -2.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2222 -2.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 28 1 0 0 0 0 2 57 1 0 0 0 0 3 29 1 0 0 0 0 3 58 1 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 46 1 0 0 0 0 8 32 3 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 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 16 1 0 0 0 0 11 17 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 14 21 1 0 0 0 0 14 23 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 48 1 0 0 0 0 21 28 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 29 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 32 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 27 31 2 0 0 0 0 27 53 1 0 0 0 0 30 33 2 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 33 56 1 0 0 0 0 M END $$$$