B9VJZ7 -OEChem-04022103523D 29 31 0 1 0 0 0 0 0999 V2000 1.3366 2.8502 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 -1.4094 -0.8021 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 2.1790 -0.6314 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -0.1829 -1.0986 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4610 0.9137 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 0.3045 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.0683 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7707 -0.1847 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 0.8672 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -1.9341 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 -0.6218 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 0.2508 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8553 -0.0066 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -1.3960 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -0.6233 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 0.2494 1.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 -0.1876 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 -0.0606 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -2.3233 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 1.9133 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 -3.0088 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -0.9651 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 0.5778 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7777 0.3858 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 -2.0602 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0465 -0.9642 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 0.5837 2.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 -0.1899 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 3.7775 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 29 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$