D08TBI -OEChem-10101305022D 39 42 0 0 0 0 0 0 0999 V2000 4.6660 -3.0021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 1.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6511 1.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9075 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 1.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9672 3.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 3.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 3.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$