BLU89J -OEChem-04012113143D 42 43 0 1 0 0 0 0 0999 V2000 2.5555 1.8287 -0.0710 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1439 -1.0303 -0.0960 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 2.0476 -1.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 2.8942 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -2.9637 0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 -1.4273 1.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.4403 0.5312 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 -1.3648 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -0.8438 -0.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2676 -0.4280 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 -1.5093 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 1.3293 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -1.7472 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 0.7200 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 1.5567 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7957 0.5475 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 0.3261 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 1.1628 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1834 0.1381 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 -0.9618 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 0.8436 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 -1.3565 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4585 0.4489 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8594 -0.6511 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 -2.3532 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -0.7481 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 0.4112 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 -0.8510 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 0.5569 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.2901 -2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 -2.1812 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 -0.5476 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4855 -1.9376 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 0.5517 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 2.0202 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -0.1199 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 1.3260 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 -3.5372 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 -1.5601 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 1.7243 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -2.2169 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 1.0015 1.2475 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 7 1 0 0 0 0 1 12 1 0 0 0 0 2 24 1 0 0 0 0 5 13 1 0 0 0 0 5 38 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$