L6QYK7 -OEChem-05022321523D 27 27 0 0 0 0 0 0 0999 V2000 3.5754 -0.1058 -0.1136 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 -1.4736 -0.4471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 0.9973 -0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 1.3034 0.3752 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 -0.9253 -0.2467 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 0.1898 1.5221 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -0.0067 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 0.1517 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 1.2175 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -1.1517 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 1.2967 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -1.0725 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 0.2344 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5586 -0.9956 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 0.3405 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 2.1228 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 -2.1125 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 2.2595 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 -1.9815 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -1.2989 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -1.7780 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.7628 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 0.6433 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 1.1327 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2699 0.2214 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.5990 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 1.0895 1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 21 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 M END $$$$