BU4D1O -OEChem-04022102012D 37 40 0 0 0 0 0 0 0999 V2000 2.5000 2.1873 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 3.3066 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -3.5359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 3.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -2.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 2.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -1.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -3.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -4.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4516 1.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 4.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$