B5W3RI -OEChem-04022101242D 52 55 0 1 0 0 0 0 0999 V2000 8.8067 2.7056 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.2642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6438 -1.8735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 0.6363 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 2.6710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 -2.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -2.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 -3.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -3.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6207 -3.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 2.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5668 -1.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1603 -2.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 -2.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 -1.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1512 -3.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -3.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6977 -3.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -3.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -4.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 -4.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -0.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 -0.2935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -0.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -0.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 0.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 2.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 2.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 4.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 21 1 0 0 0 0 5 22 2 0 0 0 0 6 22 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$