BU3K2W -OEChem-04012112472D 44 48 0 0 0 0 0 0 0999 V2000 2.5836 -3.0173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 4.2874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.2126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -3.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 -4.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 -0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 -2.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 -2.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -1.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 -1.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 -3.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -4.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9038 -4.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 3.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 3.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 27 1 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$