BOLD04 -OEChem-04012119582D 86 88 0 1 0 0 0 0 0999 V2000 9.1200 -0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -1.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6200 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 1.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5263 -1.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -2.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.0311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1200 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -3.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3271 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5859 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 3.0311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1200 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2539 0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 4.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6816 1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0882 -1.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 -1.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -2.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 -2.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4777 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -2.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8887 -0.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7655 -0.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7655 0.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7464 0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1848 0.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 1.2907 0.0000 H 0 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0 0 0 0 0 0 0 0 0 0 0 8.8100 7.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4300 7.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 22 2 0 0 0 0 4 26 2 0 0 0 0 5 29 1 0 0 0 0 5 78 1 0 0 0 0 6 28 2 0 0 0 0 7 29 2 0 0 0 0 8 34 2 0 0 0 0 9 42 1 0 0 0 0 9 86 1 0 0 0 0 16 10 1 1 0 0 0 10 26 1 0 0 0 0 10 54 1 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 11 63 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 65 1 0 0 0 0 13 27 1 0 0 0 0 13 34 1 0 0 0 0 13 73 1 0 0 0 0 21 14 1 6 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 29 1 6 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 55 1 0 0 0 0 23 30 1 0 0 0 0 23 32 1 1 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 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