B2QUP7 -OEChem-04012115202D 42 44 0 0 0 0 0 0 0999 V2000 5.6783 -0.6171 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.5444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3211 2.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 2.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.1876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -2.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 1.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -1.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -1.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 1.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 0.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 3.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -0.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 -2.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5719 -1.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 -2.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5719 -3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 35 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$