B3YL2K -OEChem-04022107372D 39 42 0 0 0 0 0 0 0999 V2000 6.3942 3.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -3.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 2.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9243 -0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -0.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -0.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7972 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 4.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2182 3.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 27 1 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 36 1 0 0 0 0 4 25 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 6 25 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 7 35 1 0 0 0 0 8 26 3 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 15 29 1 0 0 0 0 16 21 2 0 0 0 0 16 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$