B4SQ3V -OEChem-04022109112D 43 45 0 1 0 0 0 0 0999 V2000 5.3147 2.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.8336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 5.1664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.6664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.8281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 4.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 4.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 3.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 4.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 4.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 1.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 1.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 1.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -1.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -0.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -3.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -3.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -4.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -4.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -5.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 13 3 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$