B4E2TO -OEChem-04012112053D 27 27 0 1 0 0 0 0 0999 V2000 -1.6861 2.3218 -0.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -0.0555 1.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 1.3325 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -1.0730 -0.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 1.0311 0.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 0.0732 -1.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -0.2738 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -0.3704 -0.4917 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1167 -1.4094 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 0.9766 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -1.2949 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -0.0446 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 1.0912 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 -2.7576 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 0.3994 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 0.0534 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.3944 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 1.8721 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -2.1865 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4741 -2.7872 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -3.5373 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 -3.0289 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 1.0508 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 -0.4623 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 2.2538 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 0.4575 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 -0.9982 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 25 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 16 1 0 0 0 0 4 27 1 0 0 0 0 5 16 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$