B1D2OQ -OEChem-04012113403D 39 40 0 0 0 0 0 0 0999 V2000 -6.4155 -1.0858 -0.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -0.6336 0.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8045 1.6437 -0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 1.9199 -0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -1.7510 0.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.2840 0.1564 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 -0.1969 0.2702 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0483 0.0123 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 0.3295 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 -0.8220 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3706 -0.2736 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2148 1.3700 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 1.0965 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 1.2918 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6914 -0.3096 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2929 0.9722 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 1.9183 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -0.9523 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 -1.2718 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6915 -0.5713 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 0.6619 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1317 -2.4744 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6085 -1.1578 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -1.8772 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 2.0374 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 2.2936 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 2.9851 0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -1.7222 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0372 -2.2721 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 1.6941 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 1.2405 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4279 0.9320 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 -2.9252 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 -2.6525 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0759 -2.9685 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1057 1.5422 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5165 -0.4481 -1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 -2.1116 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6702 -1.3293 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 7 21 2 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$