BR76TQ -OEChem-04012114173D 29 30 0 0 0 0 0 0 0999 V2000 5.1934 0.5040 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 -1.2630 -0.4398 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 -0.2105 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 1.0360 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9944 -1.2172 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.4615 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 0.2692 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7383 0.2390 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 1.2758 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 -0.9774 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 0.4932 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6131 1.2079 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2311 -0.9655 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 0.9391 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3906 -0.3003 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 -0.5687 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 1.8427 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -2.1945 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -1.5134 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 2.2470 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -1.8027 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 1.5458 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 2.1720 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.7655 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6944 1.6761 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -0.5594 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 -1.4252 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8816 -0.8477 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 -0.2070 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 15 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 5 10 2 0 0 0 0 5 18 1 0 0 0 0 6 11 2 0 0 0 0 6 19 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$