B7EOD5 -OEChem-04022106213D 42 45 0 0 0 0 0 0 0999 V2000 5.0720 -1.3505 -0.2848 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 -2.4615 0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 -0.9915 1.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0494 -2.7975 -0.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -0.5183 -1.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.9327 -0.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 0.1789 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 0.2924 -0.5124 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 0.5425 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 0.8910 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -0.8138 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 -0.1272 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -1.8121 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 -1.4695 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 1.5604 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.2472 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -0.4197 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8606 -0.0708 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 0.5983 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 2.9027 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 3.2454 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 1.9407 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2166 1.2857 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -1.7760 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8204 -1.0884 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 2.2837 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -2.7739 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4491 -2.4308 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 -2.8673 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0829 1.3788 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 2.5603 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 3.6810 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 4.2903 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 1.5768 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -2.0894 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8684 -0.8434 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 3.3274 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -3.8190 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2017 -3.2082 0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 -2.0759 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -1.4461 1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 2.5476 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 6 22 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 2 0 0 0 0 18 23 1 0 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 23 26 2 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 25 28 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 27 28 2 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0 M END $$$$