BSN2Q3 -OEChem-04012115372D 83 88 0 1 0 0 0 0 0999 V2000 15.0467 2.3667 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.8781 1.8325 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.3239 2.1886 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6010 2.0106 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.8887 1.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2698 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6556 3.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0873 2.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9596 1.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4551 3.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4645 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6384 1.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 2.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7291 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9946 0.0000 O 0 0 0 0 0 0 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1 0 0 0 0 0 0 0 0 0 17.6825 2.1364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3452 1.0680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7696 2.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3701 0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9748 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5746 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5246 -1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0655 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6807 1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1285 2.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 0.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 1.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5444 0.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1999 1.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8972 0.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1172 3.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3244 2.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5028 2.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 2.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4624 2.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1546 3.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 1.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 2.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3679 -0.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8590 -0.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 3.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 0.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3999 0.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6841 1.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6571 0.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6458 3.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 24 2 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 4 25 2 0 0 0 0 5 40 1 0 0 0 0 5 42 1 0 0 0 0 6 41 1 0 0 0 0 6 43 1 0 0 0 0 36 7 1 1 0 0 0 7 68 1 0 0 0 0 37 8 1 1 0 0 0 8 69 1 0 0 0 0 38 9 1 6 0 0 0 9 70 1 0 0 0 0 39 10 1 6 0 0 0 10 71 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 15 76 1 0 0 0 0 16 77 1 0 0 0 0 19 52 2 0 0 0 0 20 53 2 0 0 0 0 22 82 1 0 0 0 0 23 83 1 0 0 0 0 40 26 1 6 0 0 0 26 46 1 0 0 0 0 26 48 1 0 0 0 0 41 27 1 1 0 0 0 27 47 1 0 0 0 0 27 49 1 0 0 0 0 28 48 2 0 0 0 0 28 50 1 0 0 0 0 29 49 2 0 0 0 0 29 51 1 0 0 0 0 30 46 1 0 0 0 0 30 54 2 0 0 0 0 31 47 1 0 0 0 0 31 55 2 0 0 0 0 32 52 1 0 0 0 0 32 54 1 0 0 0 0 32 74 1 0 0 0 0 33 53 1 0 0 0 0 33 55 1 0 0 0 0 33 75 1 0 0 0 0 34 54 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 55 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 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