BOV2E3 -OEChem-04022102202D 85 86 0 1 0 0 0 0 0999 V2000 6.0640 0.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 3.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 -1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 0.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -0.4068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 -0.4068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -0.4068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0640 0.4592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0640 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 1.3252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5640 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0640 0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0640 2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -2.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0640 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 0.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -0.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 0.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 1.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 0.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 -0.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 2.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6009 1.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3740 2.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5271 2.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 0.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 0.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 1.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0080 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1610 2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2540 -0.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -2.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -3.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 -3.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -2.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1840 -2.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -1.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6840 -1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 -0.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -2.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 -2.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6840 -2.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6840 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 0.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 12 7 1 1 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 13 9 1 6 0 0 0 9 27 1 0 0 0 0 9 60 1 0 0 0 0 10 26 1 0 0 0 0 28 10 1 1 0 0 0 10 67 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 47 1 0 0 0 0 19 23 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 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 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