B3BO1Q -OEChem-04022105223D 37 40 0 0 0 0 0 0 0999 V2000 0.4520 1.6822 -1.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -2.4769 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -0.9607 -0.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 -2.6603 0.2939 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 -0.5266 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 -0.2245 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -1.5907 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 0.3127 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 0.7399 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 0.8448 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 -0.2387 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 -1.5351 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -2.2480 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -0.0173 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 2.0399 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 1.1511 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -0.1070 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1839 0.4912 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 -0.9141 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 2.1584 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 1.0902 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3809 1.6596 1.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7335 1.3297 1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -0.9108 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 0.5995 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -2.8321 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 2.8881 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.4308 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 -0.9222 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 0.2442 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 -0.4860 -2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8723 -1.0524 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -1.9085 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 3.0868 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1964 1.1908 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 2.3141 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4359 1.7260 2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$