B5PEB0 -OEChem-04012119522D 40 44 0 0 0 0 0 0 0999 V2000 8.8435 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2539 -0.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2539 1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 0.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8435 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8375 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8435 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0386 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2983 0.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2983 1.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 -0.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 2.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 0.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 17 2 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 20 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 20 2 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 20 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$