B8R9NG -OEChem-04022117303D 52 55 0 0 0 0 0 0 0999 V2000 7.4057 2.3056 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 1.1201 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 2.6467 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 -1.1258 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 -0.6028 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 0.4437 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 -0.7765 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 1.8183 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 0.4995 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -0.8682 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 1.9098 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -0.9127 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 -0.9104 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -0.9993 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 -0.9969 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 -1.9378 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -1.0414 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 -0.6308 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9975 -1.8652 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -1.0442 2.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -1.0406 -2.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 -0.0743 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2857 0.1025 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4756 -0.6063 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 0.0893 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 1.4876 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6866 1.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4796 2.1834 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9753 -0.6577 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 2.0356 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 2.0347 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 3.6615 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -0.8784 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 -0.8741 -2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 -2.9197 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7307 -0.5718 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5806 -2.7823 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 -1.9494 2.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -1.0564 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -0.1634 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 -1.0894 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -1.9270 -2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -0.1421 -2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -2.0108 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -1.6168 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4724 -1.6935 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 2.1019 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6218 2.0378 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4827 3.2697 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8822 -1.6046 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7657 -0.0823 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2871 -0.8707 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 22 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 32 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 4 44 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 18 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$