B3A5KU -OEChem-04022106272D 37 39 0 0 0 0 0 0 0999 V2000 6.0486 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 5.2383 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 1.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0257 3.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 4.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4434 4.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0202 3.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 2.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 3.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3343 0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 4.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0850 3.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 3.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9554 4.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 3 21 1 0 0 0 0 3 36 1 0 0 0 0 4 24 1 0 0 0 0 4 37 1 0 0 0 0 5 24 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 18 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 31 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$