B4LIR8 -OEChem-04042104503D 50 52 0 0 0 0 0 0 0999 V2000 3.7182 0.9977 -1.3526 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 -0.6645 0.7299 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4923 -2.7943 0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 -0.8660 0.0519 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 2.6592 -0.0454 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 2.0764 1.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 2.2094 1.1753 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 -2.7446 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.4009 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -1.3403 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 -0.9895 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -4.1315 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -0.2469 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -4.1819 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 2.4158 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 2.4499 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7215 2.9113 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 2.8261 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 1.7040 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 0.6935 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 1.5993 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -0.5263 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -0.4216 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2641 0.4843 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1381 -1.7185 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 -3.0139 2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -3.4648 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 -3.1087 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -2.3786 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 -0.6433 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.3194 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 -0.7951 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 -0.2627 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 -4.8946 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 -4.3902 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -3.3487 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.1868 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -5.1080 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5349 3.3270 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8433 2.4184 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 3.2630 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 3.7428 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 3.1804 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 0.7635 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 2.3786 1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 -1.2037 -1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 0.4136 1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5887 -2.5256 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0234 -1.4798 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4954 -2.0791 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M END $$$$