BRV5I3 -OEChem-04012112332D 54 58 0 0 0 0 0 0 0999 V2000 8.1279 -0.1340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 1.5368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 -0.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6279 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 -1.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -1.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -1.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -3.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -3.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 4.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 4.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 -1.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 1.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9379 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3179 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -4.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 -3.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 20 2 0 0 0 0 3 22 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 46 1 0 0 0 0 10 21 1 0 0 0 0 10 24 2 0 0 0 0 11 24 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$