D0U2JP -OEChem-10121500482D 43 45 0 1 0 0 0 0 0999 V2000 12.2278 3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8677 1.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9666 2.4630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 26 1 0 0 0 0 6 28 1 0 0 0 0 7 19 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 18 11 1 6 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$