B3K8SZ -OEChem-04022113083D 27 27 0 1 0 0 0 0 0999 V2000 -4.1729 -1.0885 -0.4670 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 1.5509 -1.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 -2.1988 -0.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 -2.3810 1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 -0.3271 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9353 0.0716 -0.7953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 0.3036 0.2724 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5994 0.5852 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 0.1510 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 1.4944 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -0.7165 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 1.4793 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -1.6807 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 -0.2558 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 1.9401 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 1.0724 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -0.5569 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 2.4049 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 1.7023 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 1.3011 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -1.7482 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 2.1748 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -0.7831 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 -0.0891 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 2.9720 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 1.4304 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -3.1442 -0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 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 10 1 0 0 0 0 7 17 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$