B5D0VB -OEChem-04012113412D 41 43 0 1 0 0 0 0 0999 V2000 4.4487 -0.5278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 0.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -1.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0278 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -2.3326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -3.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 1.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -2.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 2.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 3.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 -3.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4963 -3.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8930 -3.0905 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 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$