BNIV50 -OEChem-04012117412D 34 35 0 0 0 0 0 0 0999 V2000 5.5116 2.4588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 3.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 4.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 4.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$