D09TTR -OEChem-10101305032D 28 29 0 0 0 0 0 0 0999 V2000 4.5981 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 0.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 3.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 12 2 0 0 0 0 8 22 1 0 0 0 0 9 13 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$