BARP76 -OEChem-04022101392D 42 45 0 0 0 0 0 0 0999 V2000 7.2098 -0.6454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.3579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 0.0978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 -2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8571 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 -1.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8863 -3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 4.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -0.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 -3.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 -4.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3012 -4.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3471 -3.2031 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 6 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 23 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$