BXOZ68 -OEChem-04022106592D 58 61 0 0 0 0 0 0 0999 V2000 16.8122 2.5630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3122 3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3122 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -2.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9462 3.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3577 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3908 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -3.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0859 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8561 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8561 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3481 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3481 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2141 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0801 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2141 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0801 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6782 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9445 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7021 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -2.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -3.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 -3.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 -1.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -0.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 -1.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0190 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8112 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2141 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2141 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6171 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9462 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3682 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2152 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9882 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 14 1 0 0 0 0 2 46 1 0 0 0 0 3 13 2 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 31 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 3 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$