B9W3ZB -OEChem-04022107432D 39 42 0 1 0 0 0 0 0999 V2000 7.9808 1.6696 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 0.1141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.1433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 0.1246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1808 0.6488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0747 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1742 2.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -0.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4683 2.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 0.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 17 2 0 0 0 0 7 16 2 0 0 0 0 7 24 1 0 0 0 0 8 17 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 6 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$