B5I7BM -OEChem-04022106382D 39 40 0 1 0 0 0 0 0999 V2000 3.7320 -0.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 0.5358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 2.4920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0468 3.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 2.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 2.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 3.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 4.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 4.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 3.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.1012 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 16 1 0 0 0 0 2 13 2 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 32 1 0 0 0 0 8 15 3 0 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$