B1SI2X -OEChem-04022105152D 45 48 0 1 0 0 0 0 0999 V2000 2.6691 1.0295 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 0.8181 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7910 -2.0335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 2.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5838 0.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 -0.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 -1.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 -0.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9035 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 2.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 2.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 -1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7919 -2.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 -1.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 -0.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9836 -2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -0.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.3512 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 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 37 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 41 1 0 0 0 0 5 42 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 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 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 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 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 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$