BXRI91 -OEChem-04042105353D 54 58 0 1 0 0 0 0 0999 V2000 4.1158 0.0588 -1.5254 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 2.6652 2.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 0.9342 -1.7115 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 -0.7810 -1.7077 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 0.7382 -2.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -1.8615 0.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 1.2187 -0.3109 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -3.2108 1.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -0.1692 -0.8666 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8496 -1.0408 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -1.8428 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -1.3089 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 0.0346 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -1.3697 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -0.8910 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1838 0.7068 0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 2.0719 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 1.0307 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -2.4341 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5334 -0.5479 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -2.9102 1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6174 1.8912 1.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 3.1989 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.9927 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 -2.7492 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0582 1.3156 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 1.8768 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -3.8037 1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 2.4467 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8871 0.4246 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 3.0079 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8905 3.2929 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4715 -0.4514 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 0.1427 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 0.0607 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 1.4787 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 2.4971 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 0.3157 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 1.5368 2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 2.5333 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 3.8050 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 3.8611 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -2.2850 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 -3.6079 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9189 1.6806 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 -4.2789 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7665 -4.6018 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -3.2415 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 2.6838 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 0.4449 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8861 -0.6044 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9339 0.7482 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 3.6638 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 4.1729 1.3012 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 7 1 0 0 0 0 1 15 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 13 2 0 0 0 0 6 14 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 19 2 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 21 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 15 20 2 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 23 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 26 1 0 0 0 0 18 27 2 0 0 0 0 19 25 1 0 0 0 0 20 38 1 0 0 0 0 21 28 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$