BE4QD5 -OEChem-04022104353D 40 42 0 0 0 0 0 0 0999 V2000 2.0573 -0.0080 -1.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2228 -0.4807 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7729 0.1641 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.6920 -0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0637 -1.2404 0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 0.9381 0.6696 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 1.6556 0.3307 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -0.5916 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -0.1369 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 0.7391 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.0583 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 1.2175 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 -0.5351 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0337 -0.2936 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 0.3850 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 2.1100 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3443 -0.2507 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 0.6913 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 1.7068 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3099 -2.6344 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5515 0.4292 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -0.5143 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9664 -0.6008 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 -2.0988 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -1.5684 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7258 1.8255 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -0.6218 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -1.1405 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 3.1531 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9122 1.0332 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 1.5549 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 2.4660 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0599 -2.8519 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 -2.8715 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 -3.2420 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 0.7929 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 1.2778 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3428 -0.9687 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 -1.4320 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 0.0541 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$