B1JF2K -OEChem-04022105013D 40 44 0 1 0 0 0 0 0999 V2000 -0.1989 0.6429 0.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 -0.0192 -0.4099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 2.1402 0.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 -2.5637 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -1.9336 -0.2554 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 -0.4991 0.9974 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0026 -0.0948 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.8959 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -1.7566 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.3718 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 0.2930 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -1.0812 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 1.4491 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -0.0075 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 1.2238 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 0.6593 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 -0.1209 2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -3.1784 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 0.3254 -1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6898 0.6269 1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 0.2392 2.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 1.0473 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8673 1.3449 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 0.7136 -2.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 1.0738 -2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.7627 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -2.0310 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 2.4267 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 -0.4196 3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -2.9605 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5435 -3.8438 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 -3.6961 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 0.0674 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 0.9043 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 0.2186 3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7959 1.3330 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5993 1.3416 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3256 1.8061 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 0.7367 -3.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 1.3763 -3.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$