B31GKY -OEChem-04022101473D 28 28 0 0 0 0 0 0 0999 V2000 0.9480 -3.2337 -0.0727 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 1.7244 0.5691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 1.4175 0.0432 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 1.3802 0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -0.8661 0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -0.8674 -0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -0.8597 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 0.3625 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 0.3527 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 -2.0625 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -0.8403 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.0527 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 1.6263 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 0.2320 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0834 2.8739 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 -0.1965 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 0.7238 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1837 0.2855 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 1.3080 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 -0.8525 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 -2.9894 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -1.7965 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 3.4004 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 2.6127 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 3.5289 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -1.2587 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 1.7886 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 1.1428 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$