BDBE53 -OEChem-04012119462D 40 42 0 0 0 0 0 0 0999 V2000 5.4641 1.3960 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -2.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.4087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 -1.5655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 -2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 1.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 1.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -1.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0189 -2.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 -3.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1976 -2.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$