BCRO12 -OEChem-04042103583D 49 53 0 0 0 0 0 0 0999 V2000 0.0411 1.8929 -0.1806 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4405 0.4404 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8858 -2.3870 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 0.8079 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 2.1953 -0.6369 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3685 1.8246 1.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 2.6488 -0.1837 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 1.4393 0.3522 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4001 3.0397 -0.2254 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1677 -0.0676 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8987 -1.4373 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -0.6664 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4001 -0.5315 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1582 -1.8513 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7989 0.3937 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0594 -0.9279 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8925 -0.1618 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1178 0.8480 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5794 -1.8900 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 -0.9728 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 -0.3359 -1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -0.7444 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 0.1100 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -0.0837 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.4921 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 0.0929 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7115 1.3389 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 -2.2358 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3525 -0.1944 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8611 -2.5231 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 1.9331 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7893 -1.5023 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3947 -0.1461 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3328 -0.6377 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1835 -1.7369 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9230 -2.5806 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 1.9112 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 -2.9531 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -1.3612 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.2708 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 -0.9998 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.4086 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -0.2939 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 0.1700 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -0.5547 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 -3.0452 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 0.5902 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2013 -3.5414 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 -1.7260 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 31 1 0 0 0 0 2 10 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 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 27 2 0 0 0 0 8 26 1 0 0 0 0 9 31 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 21 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 28 2 0 0 0 0 17 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$