BR1D6T -OEChem-04012119482D 45 46 0 1 0 0 0 0 0999 V2000 6.8994 2.5252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.6241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.3264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.7809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6783 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 1.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 3.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9628 2.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4416 3.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7071 3.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6501 4.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 4.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7271 3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 3.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -1.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 42 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 45 1 0 0 0 0 4 19 2 0 0 0 0 9 5 1 6 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 15 21 2 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$