B6U7KM -OEChem-04012113033D 38 40 0 0 0 0 0 0 0999 V2000 4.6041 0.0365 0.0005 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 4.7908 0.0021 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -0.3957 1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -0.3706 -1.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -0.7127 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -2.8465 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 -1.6006 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.2055 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 -0.4425 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 0.6798 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 -1.4364 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 -2.7504 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 -1.0146 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 -1.0149 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.6332 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -0.6334 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 1.3636 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 1.3649 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -3.9607 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 1.8146 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 2.7563 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 2.7577 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 3.4535 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -0.9757 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 -1.1577 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 -1.1583 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 -0.4835 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 -0.4834 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 0.8326 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1025 0.8348 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -4.5670 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -3.7135 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -4.5679 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0429 2.1569 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 2.1813 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 2.1552 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 3.2983 2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 3.3007 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$