B97CVI -OEChem-04022106192D 36 39 0 0 0 0 0 0 0999 V2000 5.5321 2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0241 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0241 -2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9301 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9301 -2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -2.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 -0.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 -3.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 -0.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 -2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 36 1 0 0 0 0 2 23 2 0 0 0 0 3 5 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 2 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 24 1 0 0 0 0 10 18 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$