BRV1B5 -OEChem-04022113403D 46 46 0 1 0 0 0 0 0999 V2000 -5.1041 0.7347 1.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 1.0958 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 3.0684 0.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 1.8536 -0.3859 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -0.7503 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3793 -1.2169 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -0.3539 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 -0.5535 -0.3948 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8251 -1.0447 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -0.1710 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 -1.4890 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -0.8768 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 0.7312 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2237 -0.8566 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -0.0440 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3083 -0.7560 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -0.3196 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4822 -1.1633 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.9484 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8072 -0.7388 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 1.3730 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0969 0.5294 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 -1.4453 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2777 -2.1745 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -0.0864 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 0.5847 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -0.2820 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 -1.9750 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -1.3269 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 0.7642 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 0.1077 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 -1.8625 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7532 -2.3671 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -1.8087 -0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -1.1386 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2714 -0.4727 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9552 1.8798 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -1.6889 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2132 -0.2931 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3138 -1.1285 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2471 3.3570 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2704 -2.1539 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 1.6568 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6133 -1.3956 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 2.3601 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1285 0.8599 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 4 13 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$