L58MPS -OEChem-05022322492D 42 45 0 1 0 0 0 0 0999 V2000 6.8196 0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -0.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7106 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8498 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8342 1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6599 0.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6442 1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5571 1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 -1.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1714 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6644 -2.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2134 0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -1.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2258 0.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 2.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0593 1.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 2.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$