B4REL1 -OEChem-04022102592D 39 42 0 0 0 0 0 0 0999 V2000 2.6691 0.5781 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 5.1994 2.4406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1873 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 5.6994 3.3066 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 4.2213 2.6485 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 7.9808 -2.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6062 1.5271 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 5.0303 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 5.3147 -4.6351 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 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 8.5165 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 1.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 0.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 1.7792 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 5.1592 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 24 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 21 2 0 0 0 0 6 22 1 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$