B36KRQ -OEChem-04042105313D 37 39 0 1 0 0 0 0 0999 V2000 -4.8544 -2.9874 -0.0887 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -2.1516 0.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 2.2830 0.4971 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.2303 0.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -1.3555 -1.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6553 2.0638 -0.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 -0.1176 0.8775 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0109 -0.0444 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.5941 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 1.2463 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 -0.9461 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 1.2879 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3593 -0.3142 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3456 2.2736 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 -0.1662 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 0.8061 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 -1.5948 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 3.6786 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 0.5979 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 -0.6688 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3052 -1.7681 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0807 -0.6705 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 -0.6276 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 -0.1494 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -0.2167 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -1.6889 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9981 -0.5673 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 0.9263 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 -2.4720 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 3.7608 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 4.3484 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4675 4.0312 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 1.4412 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1374 -0.7967 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2963 -0.2286 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4121 -1.7185 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 -0.2150 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 20 2 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$