BL4F5K -OEChem-04012117182D 27 28 0 1 0 0 0 0 0999 V2000 5.6137 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -0.7841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9735 0.1818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3420 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 1.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -1.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -0.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 2.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 1.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$