B1OZR4 -OEChem-04022100402D 59 63 0 0 0 0 0 0 0999 V2000 8.8590 1.8686 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.6571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.9426 -3.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9426 -1.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -1.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 1.0638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 0.2591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.0638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.5638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4426 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 0.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5252 0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 0.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 -0.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 -1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 -1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 -0.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -1.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 -2.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -2.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -3.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -3.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -0.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 -3.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 -0.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5626 -3.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 3.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 31 1 0 0 0 0 2 34 1 0 0 0 0 3 29 1 0 0 0 0 3 54 1 0 0 0 0 4 29 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 7 17 2 0 0 0 0 7 21 1 0 0 0 0 8 27 1 0 0 0 0 8 30 2 0 0 0 0 9 30 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 23 2 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 M END $$$$