BGCW21 -OEChem-04012114203D 57 58 0 1 0 0 0 0 0999 V2000 -4.7181 1.6370 -1.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 0.0568 1.4583 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 -0.5483 -0.5084 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 1.4928 0.3809 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 1.0262 -0.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8284 -0.2131 1.6841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5533 1.8249 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5826 -1.0406 -0.4814 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4280 -2.5624 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -1.6232 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1062 -2.7901 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 0.5544 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 1.0632 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 0.7564 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 1.0732 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 2.9877 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 2.2580 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 0.5138 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2791 -0.5779 0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -0.3256 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 1.9378 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5767 1.7559 -1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.4951 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 -1.4277 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 -1.7666 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -2.6992 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -2.8686 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1144 -0.6848 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2609 -3.1008 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3293 -2.9134 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7403 -1.8693 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -1.3197 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 -3.7599 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -2.7316 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 0.4107 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 -0.3430 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 2.3101 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 1.8553 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 0.1910 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 3.4071 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 2.6899 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 3.8073 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 2.5942 1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 3.0972 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 1.4403 2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 1.3798 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 1.4343 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.2656 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 2.8566 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6649 1.8435 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 1.1874 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 2.7639 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1897 0.3337 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 -1.3259 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -1.8986 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0633 -3.5568 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0749 -3.8583 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 46 1 0 0 0 0 6 19 3 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$