BR8FV5 -OEChem-04012119132D 45 47 0 1 0 0 0 0 0999 V2000 7.1979 -2.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0518 1.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 2.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -1.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5943 -0.0541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5809 -1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3037 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 -2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2018 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1858 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3198 1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 -1.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 -1.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 -0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3562 -1.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3748 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 -2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 1.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6420 -1.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 2.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 1.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4893 0.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6398 0.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 0.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -0.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2349 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 -1.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 39 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 1 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 1 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$