BR2U9I -OEChem-04012119542D 40 41 0 1 0 0 0 0 0999 V2000 5.6314 2.7336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 3.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4405 3.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 3.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 0.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 -0.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -3.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 1.4246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -0.5786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 2.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2192 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 1.1156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6721 2.4287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6721 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5804 -1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 -0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 -2.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 3.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 0.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 2.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6638 0.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 0.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 2.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 2.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6638 3.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 2.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 -2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1278 -1.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 0.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 -0.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 -3.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 14 2 1 6 0 0 0 2 19 1 0 0 0 0 5 15 2 0 0 0 0 6 18 2 0 0 0 0 7 22 1 0 0 0 0 7 40 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 6 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$