BCQU17 -OEChem-04022105462D 43 45 0 1 0 0 0 0 0999 V2000 5.0780 0.1970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -4.3853 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 2.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 1.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3908 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7690 1.1481 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7690 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1812 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 3.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -2.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -3.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 4.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 -4.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -0.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 1.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 1.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4862 4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 3.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 -2.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -3.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9733 4.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 5.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 4.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 -5.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -4.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -4.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$