B1WUP6 -OEChem-04012120022D 41 45 0 0 0 0 0 0 0999 V2000 2.9180 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 4.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 1.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 3.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 3.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 4.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -3.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -4.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 1.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 1.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 2.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 2.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 5.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 5.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 1.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9858 -0.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 4.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 4.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 -2.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 -1.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 -4.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 9 28 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 3 0 0 0 0 27 41 1 0 0 0 0 M END $$$$