L3S1JM -OEChem-05022323133D 36 39 0 1 0 0 0 0 0999 V2000 2.0571 2.1666 -1.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0285 -1.3997 -0.7557 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 1.2933 0.4347 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 0.7779 0.7970 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3155 -1.6688 0.5057 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4629 -0.4585 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 0.4206 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 1.0539 -0.5006 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8191 -2.0518 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.8544 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6287 -0.1663 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 -0.7511 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 0.6037 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 2.7232 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4931 -1.6772 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 1.0732 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -1.2195 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1072 0.1350 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 1.6304 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8137 -2.5320 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -0.2676 1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -0.6804 2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 1.3200 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -2.6871 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -2.6477 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.0297 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 -0.2975 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 -2.1885 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 2.3044 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 2.9627 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 3.0550 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 3.2235 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -2.7365 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3631 2.1259 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 -1.9304 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1314 0.4686 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 29 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 M END $$$$