BRI8V2 -OEChem-04022108422D 55 59 0 1 0 0 0 0 0999 V2000 7.8003 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9464 -2.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5921 -3.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 1.2772 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0682 -0.2138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 0.2862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9343 1.2862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8652 0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 -1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8523 -1.2622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7203 2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9771 2.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6681 3.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 3.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7202 -1.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7241 -2.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 2.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 0.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 0.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 -0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0488 0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 -1.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 -1.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 1.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 0.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 -0.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 2.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4971 3.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2156 4.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2864 4.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 2.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 0.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3312 -1.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9301 -1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 -3.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 48 1 0 0 0 0 2 20 2 0 0 0 0 3 26 1 0 0 0 0 3 54 1 0 0 0 0 4 28 1 0 0 0 0 4 55 1 0 0 0 0 5 28 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 1 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 9 29 1 1 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 6 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$