BU1N0Q -OEChem-04012112173D 27 27 0 1 0 0 0 0 0999 V2000 0.5017 -0.9262 1.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.6017 -0.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 1.8360 0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2947 -3.3179 -0.4254 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 0.6287 0.8697 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 -1.0024 -0.4561 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 2.1554 -0.5973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -1.8701 -0.5223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8637 -1.4862 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 0.0008 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 -1.2259 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7163 0.9226 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 -0.3803 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9114 1.9435 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 1.1202 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 -1.5724 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 -2.0016 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 -1.8106 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 -3.6159 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 -3.5682 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 -1.2659 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 0.2237 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 0.7981 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 -0.7753 -0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 -0.6326 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 2.6890 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 2.5795 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$