BI1JC9 -OEChem-04022109503D 42 44 0 0 0 0 0 0 0999 V2000 3.3485 1.9556 -0.7736 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 -1.9561 -0.7713 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -3.1187 -0.4377 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 3.1201 -0.4402 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 3.0418 -0.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 1.6589 -2.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2295 -3.0392 -0.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 -1.6612 -2.1806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 2.1584 -0.0184 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 -2.1630 -0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 1.0636 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -1.0710 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 0.4908 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 -0.4886 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 0.5287 -1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 -0.5385 -1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 0.5314 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 -0.5358 1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -0.7614 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 0.7621 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 0.5887 1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7024 -0.5831 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 -1.9158 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 1.9186 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -0.5659 1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1734 0.5734 1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -1.8180 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8942 1.8241 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 2.7283 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 -2.7319 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 0.9386 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -0.9501 -2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 0.9397 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.9414 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 -0.8639 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 0.8621 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 1.5528 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 -1.5462 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7587 -0.4900 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7559 0.5002 2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -2.7170 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 2.7247 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 21 2 0 0 0 0 14 20 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$