BC3ND2 -OEChem-04022110282D 43 46 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 6.1279 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 2.0374 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 6.9939 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 2.0374 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 7.8600 2.5374 0.0000 C 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 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 5.2619 -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 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 6.9939 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4614 0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7819 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 1.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 0.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4614 3.0124 0.0000 H 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 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 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 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 14 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$