BRIX85 -OEChem-04012116332D 39 41 0 1 0 0 0 0 0999 V2000 8.0785 -0.8019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 2.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0785 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 -0.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.1980 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -1.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 0.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 -1.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 -2.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6869 -1.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.2673 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 6 1 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 15 2 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 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 $$$$