B3WGC2 -OEChem-04012113573D 62 64 0 1 0 0 0 0 0999 V2000 -2.1950 -1.4022 2.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 2.9050 0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 2.3122 -2.1152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 2.6836 0.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0225 -1.1108 -0.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3699 1.1333 -0.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 0.3827 0.3716 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -0.8842 -0.0874 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 -2.5418 1.9559 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2406 -3.6148 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 -3.3079 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -3.0624 3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -0.2159 1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 2.4262 0.1941 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3873 1.9592 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7783 0.7487 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4706 0.0349 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 1.2500 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 2.2145 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -2.5598 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -3.7807 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 2.8795 -1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6367 2.9771 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3205 1.5112 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 -2.2769 -1.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -3.4976 -2.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -2.7458 -2.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 0.3255 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2227 2.7177 -3.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 1.5253 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 1.4793 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1723 0.2529 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3904 -0.8893 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5969 0.1712 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 -2.3434 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -3.7163 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7537 -4.5960 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 -3.3355 3.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 -3.9385 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.2884 3.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 1.3360 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 0.5292 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 -0.6535 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 3.1646 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 -2.1899 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 -4.3647 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8812 3.9724 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9526 2.5603 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6549 2.6601 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4005 2.6338 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6071 4.0721 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 -1.6900 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 -3.8618 -3.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 -2.5246 -3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 -0.5343 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2111 2.3877 -3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 3.8045 -3.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 2.2518 -4.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 2.5102 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 2.4073 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 -1.8859 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 -1.1539 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 22 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 34 1 0 0 0 0 5 62 1 0 0 0 0 6 34 2 0 0 0 0 7 24 1 0 0 0 0 7 28 1 0 0 0 0 7 55 1 0 0 0 0 8 28 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$