BUM9N1 -OEChem-04022100172D 44 46 0 0 0 0 0 0 0999 V2000 5.2623 1.8116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -3.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -3.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 3.5717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 2.7627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 1.8116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 2.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 3.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -1.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -1.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -4.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 4.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 4.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 4.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 1.9351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 2.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 4.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 4.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 1.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 3.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 2.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 3.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 4.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6576 3.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4743 0.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 0.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4743 -1.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 -1.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 -4.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -4.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -4.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$