BBX01M -OEChem-04022115143D 39 42 0 0 0 0 0 0 0999 V2000 -2.4765 -1.0391 -1.6473 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 2.2156 -0.2965 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 1.3491 -1.6196 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -1.9770 -2.6508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8963 -0.7749 -1.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 0.4223 -1.8397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 0.5136 0.8073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 1.7465 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 1.3879 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 2.7132 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 1.1775 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 -1.6236 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 3.0569 0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 0.4602 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 0.0957 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 3.2928 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 -1.2546 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -2.4502 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 0.1108 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 -0.6450 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -0.6223 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -0.9963 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 -1.7121 2.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 -2.9079 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9549 -2.5388 2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 0.3460 -2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 3.7603 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 4.1043 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 3.7039 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 2.5280 2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 -0.6215 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -2.7417 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 0.3993 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 -0.9429 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0452 -0.9031 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -1.5665 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -1.4260 3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 -3.5482 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -2.8942 3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 18 24 2 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$