BA93IU -OEChem-04012113002D 41 44 0 0 0 0 0 0 0999 V2000 2.5836 -2.2673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 2.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 -3.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -3.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 2.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 3.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 -1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 -1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -1.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 -0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 -2.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -3.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9038 -4.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 2.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 4.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 15 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 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 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 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 16 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 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 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$