BW8Q4E -OEChem-04012116272D 42 44 0 0 0 0 0 0 0999 V2000 7.9128 -0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 -0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4190 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7990 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 25 1 0 0 0 0 6 22 1 0 0 0 0 6 26 1 0 0 0 0 7 17 1 0 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 32 1 0 0 0 0 9 17 1 0 0 0 0 9 22 2 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$