D00JWB -OEChem-10191522422D 40 42 0 0 0 0 0 0 0999 V2000 4.4487 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 1.0035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4048 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4048 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8466 -0.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 21 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$