BR8O1V -OEChem-04042105503D 64 68 0 1 0 0 0 0 0999 V2000 0.2743 1.8558 -1.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -1.4949 -1.8699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 -5.3878 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 1.0114 -0.0488 N 0 0 2 0 0 0 0 0 0 0 0 0 0.4238 -0.6031 -1.1289 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1877 0.7643 -0.4099 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3029 0.9489 0.6467 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8261 -0.5785 -1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 0.8585 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 -0.7624 -2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -1.7554 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9476 -0.1850 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1927 -0.1352 1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 0.6438 -0.8814 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7148 1.4096 0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -1.5145 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7747 2.1338 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -0.6382 -1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6411 3.1535 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 3.5944 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7148 0.6173 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -3.0777 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 -2.5728 2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 1.9054 0.5347 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1676 -4.1204 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -3.8677 1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4512 1.7345 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 3.1377 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8838 2.9248 2.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 1.9290 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8243 0.1424 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 -1.5534 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 1.8556 0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3899 0.1351 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -1.7110 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 0.0205 -2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 -0.0109 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -1.0298 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 0.1734 2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -0.1954 2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 1.4427 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 2.0773 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 0.5478 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 1.5070 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 3.2065 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 3.3784 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 4.1141 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9663 3.9400 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1935 2.6865 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 -0.2425 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4723 0.4469 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -3.3157 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -2.3872 3.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 2.0530 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 -4.6737 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2115 1.5510 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 0.8463 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7224 3.0393 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 3.3018 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2706 4.0504 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1124 3.1937 2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7971 2.6777 2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 3.8004 1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 -5.3829 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 49 1 0 0 0 0 2 18 2 0 0 0 0 3 25 1 0 0 0 0 3 64 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 2 0 0 0 0 22 52 1 0 0 0 0 23 26 2 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END $$$$