BE84VZ -OEChem-04022105152D 44 47 0 1 0 0 0 0 0999 V2000 2.6691 0.7349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 -2.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 0.5234 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.8282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 2.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 -1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 -0.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 -0.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 -0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 -1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 2.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 -1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 -2.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7919 -2.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -1.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 17 1 0 0 0 0 4 19 2 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 27 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 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$