D0B5PU -OEChem-10101305032D 45 48 0 0 0 0 0 0 0999 V2000 7.9128 0.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8834 2.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9128 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9128 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8615 2.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.6433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6924 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3615 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9003 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2938 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5067 0.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2912 1.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9726 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 2.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 21 2 0 0 0 0 8 26 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 14 19 1 0 0 0 0 14 31 1 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$