B79TLJ -OEChem-04022101393D 39 42 0 0 0 0 0 0 0999 V2000 3.2458 0.1455 1.5262 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -0.1769 -2.6987 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -0.0810 0.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 -0.0107 -0.6124 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 1.2836 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 -1.2308 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 1.4652 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -1.2713 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -0.0826 -1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 2.4466 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -2.4716 -0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5936 -0.0832 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 2.7618 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -2.5004 1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 3.7280 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 -3.6863 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 3.8870 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -3.7004 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -0.0147 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -0.1515 -1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -0.0147 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -0.1513 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 -0.0830 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 -0.0071 2.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 2.3844 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -2.5268 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 2.9097 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 -2.5367 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 4.5950 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2767 -4.6155 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 4.8776 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -4.6381 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 0.0367 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6669 -0.2047 -2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9677 0.0398 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8801 -0.2040 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -0.8832 2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4266 -0.0159 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 0.9328 2.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$