BO5R7P -OEChem-04012113003D 31 33 0 0 0 0 0 0 0999 V2000 -2.1646 0.6913 -0.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5397 2.9723 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 0.7346 -0.3715 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -0.3205 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 1.1111 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -0.4942 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 1.7827 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 1.7722 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 1.1620 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4713 -1.4031 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 0.1885 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -1.7347 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -0.3911 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 0.9793 1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 0.3415 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 -2.6693 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -2.8334 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0847 -1.8892 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 2.8511 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 0.8353 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -1.3275 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 -1.8597 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2845 -0.2459 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3027 0.1382 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 1.2609 2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 0.0322 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -3.5409 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8801 -3.8285 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -2.0714 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 -2.2709 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 -2.4579 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 12 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END $$$$