B9IUR3 -OEChem-04042102273D 30 31 0 0 0 0 0 0 0999 V2000 -3.1457 -1.1643 -0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -0.5348 -0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -1.3049 -0.2307 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 0.7084 0.2253 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.3633 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3281 0.8751 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 -0.6560 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -2.7034 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 1.7506 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -0.5210 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 2.0074 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.6153 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8243 1.8658 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -3.4955 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 2.4134 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 0.5070 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 -3.0558 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 -2.8449 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 1.2972 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 2.4790 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -1.4882 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 2.9740 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 2.7429 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 -3.1729 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -3.3704 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 -4.5615 0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 2.8805 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5292 1.6863 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8433 3.1897 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 1.4415 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 16 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$